1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide

C20H28N4O — CID 75385005

IUPAC1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESCCC(CC)n1ccc(C(=O)Nc2ccccc2CN2CCCC2)n1
InChIInChI=1S/C20H28N4O/c1-3-17(4-2)24-14-11-19(22-24)20(25)21-18-10-6-5-9-16(18)15-23-12-7-8-13-23/h5-6,9-11,14,17H,3-4,7-8,12-13,15H2,1-2H3,(H,21,25)
InChIKeyKVUXZLHJPOJJFC-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.09
Rot. Bonds7

About 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide

1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 75385005) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
PubChem CID75385005
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESCCC(CC)n1ccc(C(=O)Nc2ccccc2CN2CCCC2)n1
InChIInChI=1S/C20H28N4O/c1-3-17(4-2)24-14-11-19(22-24)20(25)21-18-10-6-5-9-16(18)15-23-12-7-8-13-23/h5-6,9-11,14,17H,3-4,7-8,12-13,15H2,1-2H3,(H,21,25)
InChIKeyKVUXZLHJPOJJFC-UHFFFAOYSA-N
XLogP4.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
CID 46968234
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55676715
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618473
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
N-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole-1-carboxamide
CID 81257336
4-(difluoromethylsulfanyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676837
(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 104902926
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75497361
1,4,6-trimethyl-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131943063
4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide (CID 75385005) is 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide is CCC(CC)n1ccc(C(=O)Nc2ccccc2CN2CCCC2)n1.
What is the InChIKey of 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is KVUXZLHJPOJJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-17(4-2)24-14-11-19(22-24)20(25)21-18-10-6-5-9-16(18)15-23-12-7-8-13-23/h5-6,9-11,14,17H,3-4,7-8,12-13,15H2,1-2H3,(H,21,25).
What are the key properties of 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 75385005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).