N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide

C19H26N4O — CID 50948994

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide
SMILESCc1ccc(NC2(C(=O)NCc3c(C)n[nH]c3C)CCCC2)cc1
InChIInChI=1S/C19H26N4O/c1-13-6-8-16(9-7-13)21-19(10-4-5-11-19)18(24)20-12-17-14(2)22-23-15(17)3/h6-9,21H,4-5,10-12H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyBATCQNMZUNIPIS-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.38
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide (PubChem CID 50948994) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide
PubChem CID50948994
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide
SMILESCc1ccc(NC2(C(=O)NCc3c(C)n[nH]c3C)CCCC2)cc1
InChIInChI=1S/C19H26N4O/c1-13-6-8-16(9-7-13)21-19(10-4-5-11-19)18(24)20-12-17-14(2)22-23-15(17)3/h6-9,21H,4-5,10-12H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyBATCQNMZUNIPIS-UHFFFAOYSA-N
XLogP3.38
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide (CID 50948994) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide is Cc1ccc(NC2(C(=O)NCc3c(C)n[nH]c3C)CCCC2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide?
The InChIKey is BATCQNMZUNIPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-6-8-16(9-7-13)21-19(10-4-5-11-19)18(24)20-12-17-14(2)22-23-15(17)3/h6-9,21H,4-5,10-12H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(4-methylanilino)cyclopentane-1-carboxamide is sourced from PubChem (CID 50948994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).