5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide

C15H19ClN4O — CID 2324595

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCN(C)C
InChIInChI=1S/C15H19ClN4O/c1-11-13(15(21)17-9-10-19(2)3)14(16)20(18-11)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,17,21)
InChIKeyITMPCUMOUBNNMT-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.13
Rot. Bonds5

About 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 2324595) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID2324595
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCN(C)C
InChIInChI=1S/C15H19ClN4O/c1-11-13(15(21)17-9-10-19(2)3)14(16)20(18-11)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,17,21)
InChIKeyITMPCUMOUBNNMT-UHFFFAOYSA-N
XLogP2.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 2324595) is 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCN(C)C.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ITMPCUMOUBNNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-11-13(15(21)17-9-10-19(2)3)14(16)20(18-11)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,17,21).
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2324595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).