N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide

C18H19ClN6O2 — CID 19549344

IUPACN-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCC(C(=O)Nc1ccc(NC(=O)c2ccn(C)n2)cc1)n1cc(Cl)cn1
InChIInChI=1S/C18H19ClN6O2/c1-3-16(25-11-12(19)10-20-25)18(27)22-14-6-4-13(5-7-14)21-17(26)15-8-9-24(2)23-15/h4-11,16H,3H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyDIOZZEPWKKMACN-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.11
Rot. Bonds6

About N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide

N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19549344) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19549344
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC NameN-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCCC(C(=O)Nc1ccc(NC(=O)c2ccn(C)n2)cc1)n1cc(Cl)cn1
InChIInChI=1S/C18H19ClN6O2/c1-3-16(25-11-12(19)10-20-25)18(27)22-14-6-4-13(5-7-14)21-17(26)15-8-9-24(2)23-15/h4-11,16H,3H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyDIOZZEPWKKMACN-UHFFFAOYSA-N
XLogP3.11
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-chloroanilino)-1-oxobutan-2-yl]-N-(3-chlorophenyl)pyrazole-3-carboxamide
CID 44823973
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
2-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19285214
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxobutan-2-yl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097915
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
CID 19584578
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
2-(4-chloropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19536822
2-[3-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504401
N-[4-(cyanomethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 113230498
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
CID 103116113
2-(4-chloropyrazol-1-yl)-N-[3-(dimethylamino)propyl]butanamide
CID 19536837

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide (CID 19549344) is N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide is CCC(C(=O)Nc1ccc(NC(=O)c2ccn(C)n2)cc1)n1cc(Cl)cn1.
What is the InChIKey of N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is DIOZZEPWKKMACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-3-16(25-11-12(19)10-20-25)18(27)22-14-6-4-13(5-7-14)21-17(26)15-8-9-24(2)23-15/h4-11,16H,3H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide?
N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloropyrazol-1-yl)butanoylamino]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19549344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).