N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide

C17H25F3N4O — CID 133110212

IUPACN-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@@H]1CN(CCCC(F)(F)F)C[C@H]1C1CC1
InChIInChI=1S/C17H25F3N4O/c1-2-24-15(6-8-21-24)16(25)22-14-11-23(9-3-7-17(18,19)20)10-13(14)12-4-5-12/h6,8,12-14H,2-5,7,9-11H2,1H3,(H,22,25)/t13-,14+/m0/s1
InChIKeyUVQPXRRUMWTNHW-UONOGXRCSA-N
MW358.41 g/mol
LogP2.69
Rot. Bonds7

About N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 133110212) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide
PubChem CID133110212
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N[C@@H]1CN(CCCC(F)(F)F)C[C@H]1C1CC1
InChIInChI=1S/C17H25F3N4O/c1-2-24-15(6-8-21-24)16(25)22-14-11-23(9-3-7-17(18,19)20)10-13(14)12-4-5-12/h6,8,12-14H,2-5,7,9-11H2,1H3,(H,22,25)/t13-,14+/m0/s1
InChIKeyUVQPXRRUMWTNHW-UONOGXRCSA-N
XLogP2.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide (CID 133110212) is N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@@H]1CN(CCCC(F)(F)F)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is UVQPXRRUMWTNHW-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-2-24-15(6-8-21-24)16(25)22-14-11-23(9-3-7-17(18,19)20)10-13(14)12-4-5-12/h6,8,12-14H,2-5,7,9-11H2,1H3,(H,22,25)/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 133110212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).