N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide

C15H19ClN4O — CID 51097528

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccn[nH]1
InChIInChI=1S/C15H19ClN4O/c1-19(2)9-10-20(15(21)14-7-8-17-18-14)11-12-3-5-13(16)6-4-12/h3-8H,9-11H2,1-2H3,(H,17,18)
InChIKeyYSQKFMAZQSMAER-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.27
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 51097528) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID51097528
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccn[nH]1
InChIInChI=1S/C15H19ClN4O/c1-19(2)9-10-20(15(21)14-7-8-17-18-14)11-12-3-5-13(16)6-4-12/h3-8H,9-11H2,1-2H3,(H,17,18)
InChIKeyYSQKFMAZQSMAER-UHFFFAOYSA-N
XLogP2.27
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide (CID 51097528) is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide is CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YSQKFMAZQSMAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-19(2)9-10-20(15(21)14-7-8-17-18-14)11-12-3-5-13(16)6-4-12/h3-8H,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51097528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).