5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

C22H32F3N5O2 — CID 166391653

IUPAC5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(C)(CC(=O)N1C[C@@H](CC2CC2)[C@H](NC(=O)c2cn[nH]c2C2CC2)C1)C(F)(F)F
InChIInChI=1S/C22H32F3N5O2/c1-21(29(2)3,22(23,24)25)9-18(31)30-11-15(8-13-4-5-13)17(12-30)27-20(32)16-10-26-28-19(16)14-6-7-14/h10,13-15,17H,4-9,11-12H2,1-3H3,(H,26,28)(H,27,32)/t15-,17-,21?/m1/s1
InChIKeyFALWMBNKERHKAI-ZKSQUDLQSA-N
MW455.53 g/mol
LogP2.92
Rot. Bonds8

About 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 166391653) has the molecular formula C22H32F3N5O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID166391653
Molecular FormulaC22H32F3N5O2
Molecular Weight455.53 g/mol
Exact Mass455.25
IUPAC Name5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(C)(CC(=O)N1C[C@@H](CC2CC2)[C@H](NC(=O)c2cn[nH]c2C2CC2)C1)C(F)(F)F
InChIInChI=1S/C22H32F3N5O2/c1-21(29(2)3,22(23,24)25)9-18(31)30-11-15(8-13-4-5-13)17(12-30)27-20(32)16-10-26-28-19(16)14-6-7-14/h10,13-15,17H,4-9,11-12H2,1-3H3,(H,26,28)(H,27,32)/t15-,17-,21?/m1/s1
InChIKeyFALWMBNKERHKAI-ZKSQUDLQSA-N
XLogP2.92
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

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5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide
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N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 172657705
5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide
CID 167915834
5-[(4-butylcyclohexanecarbonyl)amino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 167893244
1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
CID 105448069
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CID 124953653
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 97454957
N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
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1-[(3aR,6aR)-5-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]butan-1-one;formic acid
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (CID 166391653) is 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is CN(C)C(C)(CC(=O)N1C[C@@H](CC2CC2)[C@H](NC(=O)c2cn[nH]c2C2CC2)C1)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is FALWMBNKERHKAI-ZKSQUDLQSA-N. The full InChI is InChI=1S/C22H32F3N5O2/c1-21(29(2)3,22(23,24)25)9-18(31)30-11-15(8-13-4-5-13)17(12-30)27-20(32)16-10-26-28-19(16)14-6-7-14/h10,13-15,17H,4-9,11-12H2,1-3H3,(H,26,28)(H,27,32)/t15-,17-,21?/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S,4R)-4-(cyclopropylmethyl)-1-[3-(dimethylamino)-4,4,4-trifluoro-3-methylbutanoyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166391653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).