4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide

C17H17ClN6O2 — CID 19263479

IUPAC4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
InChIInChI=1S/C17H17ClN6O2/c1-3-24-10-13(18)15(22-24)17(26)20-12-6-4-11(5-7-12)19-16(25)14-8-9-23(2)21-14/h4-10H,3H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyVNLCESIZMSEHOE-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.79
Rot. Bonds5

About 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide (PubChem CID 19263479) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
PubChem CID19263479
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
InChIInChI=1S/C17H17ClN6O2/c1-3-24-10-13(18)15(22-24)17(26)20-12-6-4-11(5-7-12)19-16(25)14-8-9-23(2)21-14/h4-10H,3H2,1-2H3,(H,19,25)(H,20,26)
InChIKeyVNLCESIZMSEHOE-UHFFFAOYSA-N
XLogP2.79
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19267490
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19329156
4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
CID 35522479
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263530
N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19281171
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide (CID 19263479) is 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is VNLCESIZMSEHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2/c1-3-24-10-13(18)15(22-24)17(26)20-12-6-4-11(5-7-12)19-16(25)14-8-9-23(2)21-14/h4-10H,3H2,1-2H3,(H,19,25)(H,20,26).
What are the key properties of 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 372.82 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19263479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).