5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide

C21H26N6O2 — CID 51999832

IUPAC5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2nc3ccccc3n2C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C21H26N6O2/c1-26-17-11-7-6-10-15(17)23-19(26)13-22-21(29)16-12-18(27(2)25-16)24-20(28)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,22,29)(H,24,28)
InChIKeyAHDDSUDNXIFWPZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.76
Rot. Bonds5

About 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide

5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 51999832) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID51999832
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2nc3ccccc3n2C)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C21H26N6O2/c1-26-17-11-7-6-10-15(17)23-19(26)13-22-21(29)16-12-18(27(2)25-16)24-20(28)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,22,29)(H,24,28)
InChIKeyAHDDSUDNXIFWPZ-UHFFFAOYSA-N
XLogP2.76
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 51999865
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclopentanecarbonylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 51999682
N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999876
2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 60542277
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834
5-(cyclohexanecarbonylamino)-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-3-carboxamide
CID 75767268
5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 51999857
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide (CID 51999832) is 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide is Cn1nc(C(=O)NCc2nc3ccccc3n2C)cc1NC(=O)C1CCCCC1.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is AHDDSUDNXIFWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-26-17-11-7-6-10-15(17)23-19(26)13-22-21(29)16-12-18(27(2)25-16)24-20(28)14-8-4-3-5-9-14/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,22,29)(H,24,28).
What are the key properties of 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide?
5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 51999832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).