5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide

C15H19ClN6O — CID 121410167

IUPAC5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(N3CCC(Cl)CC3)cc2)n[nH]c1N
InChIInChI=1S/C15H19ClN6O/c16-9-5-7-22(8-6-9)11-3-1-10(2-4-11)19-15-12(14(18)23)13(17)20-21-15/h1-4,9H,5-8H2,(H2,18,23)(H4,17,19,20,21)
InChIKeyITTSMVXSYCXEEV-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.04
Rot. Bonds4

About 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide

5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 121410167) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
PubChem CID121410167
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccc(N3CCC(Cl)CC3)cc2)n[nH]c1N
InChIInChI=1S/C15H19ClN6O/c16-9-5-7-22(8-6-9)11-3-1-10(2-4-11)19-15-12(14(18)23)13(17)20-21-15/h1-4,9H,5-8H2,(H2,18,23)(H4,17,19,20,21)
InChIKeyITTSMVXSYCXEEV-UHFFFAOYSA-N
XLogP2.04
TPSA113.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-(methylamino)-N-phenyl-1H-pyrazole-4-carboxamide
CID 46948874
5-Anilino-3,7-dihydropyrazolo[5,4-d]triazin-4-one
CID 171350945
5-amino-N-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-1h-pyrazole-4-carboxamide
CID 164608611
5-Amino-3-(phenylamino)-1h-pyrazole-4-carboxamide
CID 2357212
4-hydroxy-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 135577998
1H-Pyrazole-4-carboxylic acid, 5-amino-3-(2-fluorophenylamino)-, amide
CID 6425465
5-amino-3-((3-chloro-4-fluorophenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701885
5-amino-3-((4-fluorophenyl)amino)-1H-pyrazole-4-carboxamide
CID 86701892
5-(4-Fluoroanilino)-8,11,11-trimethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 118875011
5-amino-3-((4-(4-fluoropiperidin-1-yl)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 121410211
5-amino-3-[4-(4-fluoroanilino)anilino]-1H-pyrazole-4-carboxamide
CID 121439970
5-amino-3-anilino-N-octadecyl-1H-pyrazole-4-carboxamide
CID 139229456

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide (CID 121410167) is 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2ccc(N3CCC(Cl)CC3)cc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is ITTSMVXSYCXEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c16-9-5-7-22(8-6-9)11-3-1-10(2-4-11)19-15-12(14(18)23)13(17)20-21-15/h1-4,9H,5-8H2,(H2,18,23)(H4,17,19,20,21).
What are the key properties of 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide?
5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(4-chloropiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121410167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).