N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide

C20H28N4O — CID 132971582

IUPACN-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide
SMILESCCC(C)n1ncc(NC(=O)N2CCC(c3ccccc3)C2C)c1C
InChIInChI=1S/C20H28N4O/c1-5-14(2)24-16(4)19(13-21-24)22-20(25)23-12-11-18(15(23)3)17-9-7-6-8-10-17/h6-10,13-15,18H,5,11-12H2,1-4H3,(H,22,25)
InChIKeyBSTFFQHPNXMBSZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.57
Rot. Bonds4

About N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide

N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide (PubChem CID 132971582) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide
PubChem CID132971582
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide
SMILESCCC(C)n1ncc(NC(=O)N2CCC(c3ccccc3)C2C)c1C
InChIInChI=1S/C20H28N4O/c1-5-14(2)24-16(4)19(13-21-24)22-20(25)23-12-11-18(15(23)3)17-9-7-6-8-10-17/h6-10,13-15,18H,5,11-12H2,1-4H3,(H,22,25)
InChIKeyBSTFFQHPNXMBSZ-UHFFFAOYSA-N
XLogP4.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 129358763
(2R,3S)-N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-phenylpyrrolidine-1-carboxamide
CID 124735885
1-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-3-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129358798
1-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(2,2-difluoroethyl)urea
CID 129358097
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 167970299
4-[[(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)carbamoylamino]methyl]benzoic acid
CID 122088267
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 129359337
N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(3-chloro-4-hydroxyphenyl)urea
CID 129358603
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702
6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 119186871
2-(2-methyl-3-phenylpyrrolidin-1-yl)propanoic acid
CID 119150831

Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide (CID 132971582) is N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide is CCC(C)n1ncc(NC(=O)N2CCC(c3ccccc3)C2C)c1C.
What is the InChIKey of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is BSTFFQHPNXMBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-14(2)24-16(4)19(13-21-24)22-20(25)23-12-11-18(15(23)3)17-9-7-6-8-10-17/h6-10,13-15,18H,5,11-12H2,1-4H3,(H,22,25).
What are the key properties of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide?
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 132971582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).