3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide

C18H24N4O — CID 119812807

IUPAC3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)C2CCC(N)C2)n1
InChIInChI=1S/C18H24N4O/c1-12-9-13(2)22(21-12)17-6-4-3-5-15(17)11-20-18(23)14-7-8-16(19)10-14/h3-6,9,14,16H,7-8,10-11,19H2,1-2H3,(H,20,23)
InChIKeyNBQQUYDWOUNQRN-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119812807) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119812807
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)n(-c2ccccc2CNC(=O)C2CCC(N)C2)n1
InChIInChI=1S/C18H24N4O/c1-12-9-13(2)22(21-12)17-6-4-3-5-15(17)11-20-18(23)14-7-8-16(19)10-14/h3-6,9,14,16H,7-8,10-11,19H2,1-2H3,(H,20,23)
InChIKeyNBQQUYDWOUNQRN-UHFFFAOYSA-N
XLogP2.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
N-cyclopentyl-2-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}acetamide
CID 24825807
N-benzyl-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
CID 649887
[4-(3,5-dimethylpyrazolyl)phenyl]-N-(methylethyl)carboxamide
CID 664135
N-isopropyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826947
N-cycloheptyl-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9045905
N-(2-fluorobenzyl)-3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}propanamide
CID 16190843
N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354073
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2598144
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-3-butenamide
CID 16188800
3-[3-(3,3-Dimethylbutyl)-3-azabicyclo[3.1.0]hexane-6-carboxamido]methyl-5-isobutyl-1-phenyl-1H-pyrazole
CID 86292753

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide (CID 119812807) is 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide is Cc1cc(C)n(-c2ccccc2CNC(=O)C2CCC(N)C2)n1.
What is the InChIKey of 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is NBQQUYDWOUNQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-9-13(2)22(21-12)17-6-4-3-5-15(17)11-20-18(23)14-7-8-16(19)10-14/h3-6,9,14,16H,7-8,10-11,19H2,1-2H3,(H,20,23).
What are the key properties of 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119812807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).