N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

C24H25ClN6O2 — CID 18728010

IUPACN-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1
InChIInChI=1S/C24H25ClN6O2/c1-30-22(20(15-27-30)24(33)28-19-11-9-18(25)10-12-19)29-23(32)17-7-5-16(6-8-17)21(26)31-13-3-2-4-14-31/h5-12,15,26H,2-4,13-14H2,1H3,(H,28,33)(H,29,32)/b26-21-
InChIKeyCGGFTSHBZUYRAZ-QLYXXIJNSA-N
MW464.96 g/mol
LogP4.39
Rot. Bonds5

About N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 18728010) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
PubChem CID18728010
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC NameN-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1
InChIInChI=1S/C24H25ClN6O2/c1-30-22(20(15-27-30)24(33)28-19-11-9-18(25)10-12-19)29-23(32)17-7-5-16(6-8-17)21(26)31-13-3-2-4-14-31/h5-12,15,26H,2-4,13-14H2,1H3,(H,28,33)(H,29,32)/b26-21-
InChIKeyCGGFTSHBZUYRAZ-QLYXXIJNSA-N
XLogP4.39
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (CID 18728010) is N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
The InChIKey is CGGFTSHBZUYRAZ-QLYXXIJNSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-30-22(20(15-27-30)24(33)28-19-11-9-18(25)10-12-19)29-23(32)17-7-5-16(6-8-17)21(26)31-13-3-2-4-14-31/h5-12,15,26H,2-4,13-14H2,1H3,(H,28,33)(H,29,32)/b26-21-.
What are the key properties of N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?
N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide has a molecular weight of 464.96 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 18728010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).