5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide

C20H25N5O3 — CID 51999857

IUPAC5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)cc1
InChIInChI=1S/C20H25N5O3/c1-21-18(26)14-8-10-15(11-9-14)22-20(28)16-12-17(25(2)24-16)23-19(27)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,21,26)(H,22,28)(H,23,27)
InChIKeyPIHCMSXVYJBMSB-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.55
Rot. Bonds5

About 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide

5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 51999857) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID51999857
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)cc1
InChIInChI=1S/C20H25N5O3/c1-21-18(26)14-8-10-15(11-9-14)22-20(28)16-12-17(25(2)24-16)23-19(27)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,21,26)(H,22,28)(H,23,27)
InChIKeyPIHCMSXVYJBMSB-UHFFFAOYSA-N
XLogP2.55
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 51999642
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide
CID 51999688
5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
CID 51999721
N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide
CID 51999662
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 51999836
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
6-chloro-N-[4-[5-(cyclohexanecarbonylamino)-1-methylpyrazol-3-yl]phenyl]cyclohexa-1,5-diene-1-carboxamide
CID 170596526
N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999876
5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 51999857) is 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide is CNC(=O)c1ccc(NC(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)cc1.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is PIHCMSXVYJBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-21-18(26)14-8-10-15(11-9-14)22-20(28)16-12-17(25(2)24-16)23-19(27)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,21,26)(H,22,28)(H,23,27).
What are the key properties of 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide?
5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 51999857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).