N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide

C22H26N4O — CID 127315953

IUPACN-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN(C(=O)c2cn(C)nc2C)C2CCCC2)c2ccccc2n1
InChIInChI=1S/C22H26N4O/c1-15-12-17(19-10-6-7-11-21(19)23-15)13-26(18-8-4-5-9-18)22(27)20-14-25(3)24-16(20)2/h6-7,10-12,14,18H,4-5,8-9,13H2,1-3H3
InChIKeyHSNAOPZUUSOHMX-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.17
Rot. Bonds4

About N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide

N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 127315953) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID127315953
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN(C(=O)c2cn(C)nc2C)C2CCCC2)c2ccccc2n1
InChIInChI=1S/C22H26N4O/c1-15-12-17(19-10-6-7-11-21(19)23-15)13-26(18-8-4-5-9-18)22(27)20-14-25(3)24-16(20)2/h6-7,10-12,14,18H,4-5,8-9,13H2,1-3H3
InChIKeyHSNAOPZUUSOHMX-UHFFFAOYSA-N
XLogP4.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102684082
(1R,3aR,7aS)-N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
CID 129345342
N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74238255
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 172854849
N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
CID 102860146
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-[cyclopropyl-(2-methylquinolin-4-yl)amino]acetic acid
CID 54945667
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
CID 79233798
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide (CID 127315953) is N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide is Cc1cc(CN(C(=O)c2cn(C)nc2C)C2CCCC2)c2ccccc2n1.
What is the InChIKey of N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is HSNAOPZUUSOHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15-12-17(19-10-6-7-11-21(19)23-15)13-26(18-8-4-5-9-18)22(27)20-14-25(3)24-16(20)2/h6-7,10-12,14,18H,4-5,8-9,13H2,1-3H3.
What are the key properties of N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide?
N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 127315953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).