4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide

C22H29ClN6O2 — CID 59733314

IUPAC4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide
SMILESCN1CCN(c2cc(Cl)cc(C(=O)Nc3cn[nH]c3C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C22H29ClN6O2/c1-28-7-9-29(10-8-28)18-12-15(11-16(23)13-18)21(30)26-19-14-24-27-20(19)22(31)25-17-5-3-2-4-6-17/h11-14,17H,2-10H2,1H3,(H,24,27)(H,25,31)(H,26,30)
InChIKeyOALDDSAHYZPJQM-UHFFFAOYSA-N
MW444.97 g/mol
LogP3.13
Rot. Bonds5

About 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide

4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide (PubChem CID 59733314) has the molecular formula C22H29ClN6O2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide
PubChem CID59733314
Molecular FormulaC22H29ClN6O2
Molecular Weight444.97 g/mol
Exact Mass444.20
IUPAC Name4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide
SMILESCN1CCN(c2cc(Cl)cc(C(=O)Nc3cn[nH]c3C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C22H29ClN6O2/c1-28-7-9-29(10-8-28)18-12-15(11-16(23)13-18)21(30)26-19-14-24-27-20(19)22(31)25-17-5-3-2-4-6-17/h11-14,17H,2-10H2,1H3,(H,24,27)(H,25,31)(H,26,30)
InChIKeyOALDDSAHYZPJQM-UHFFFAOYSA-N
XLogP3.13
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2-methoxyethanol
CID 143263328
N-cyclopentyl-4-[(2,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 69378336
N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 66978495
N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59862752
N-cyclopentyl-5-piperidin-1-ylpyridine-3-carboxamide
CID 109225879
4-benzamido-N-(4-tert-butylcyclohexyl)-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 158915340
N-cyclohexyl-4-[(2-ethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;methanol
CID 143263304
3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide
CID 143263434
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167676
bis(4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide);methane
CID 160548828
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]-3,3-dimethylbutanoic acid
CID 175068549
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]acetic acid
CID 155229791

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide (CID 59733314) is 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide is CN1CCN(c2cc(Cl)cc(C(=O)Nc3cn[nH]c3C(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide?
The InChIKey is OALDDSAHYZPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O2/c1-28-7-9-29(10-8-28)18-12-15(11-16(23)13-18)21(30)26-19-14-24-27-20(19)22(31)25-17-5-3-2-4-6-17/h11-14,17H,2-10H2,1H3,(H,24,27)(H,25,31)(H,26,30).
What are the key properties of 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide?
4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide has a molecular weight of 444.97 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(4-methylpiperazin-1-yl)benzoyl]amino]-N-cyclohexyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).