5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide

C19H28N6O2 — CID 51999836

IUPAC5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)c1C
InChIInChI=1S/C19H28N6O2/c1-5-25-13(3)17(12(2)22-25)21-19(27)15-11-16(24(4)23-15)20-18(26)14-9-7-6-8-10-14/h11,14H,5-10H2,1-4H3,(H,20,26)(H,21,27)
InChIKeyFSIMMSASFACHFB-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.02
Rot. Bonds5

About 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide

5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 51999836) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
PubChem CID51999836
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)c(NC(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)c1C
InChIInChI=1S/C19H28N6O2/c1-5-25-13(3)17(12(2)22-25)21-19(27)15-11-16(24(4)23-15)20-18(26)14-9-7-6-8-10-14/h11,14H,5-10H2,1-4H3,(H,20,26)(H,21,27)
InChIKeyFSIMMSASFACHFB-UHFFFAOYSA-N
XLogP3.02
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
CID 51999721
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748286
5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 51999857
4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747925
5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide
CID 51999688
ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate
CID 51999805
5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 51999642

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide (CID 51999836) is 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide is CCn1nc(C)c(NC(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)c1C.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FSIMMSASFACHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-5-25-13(3)17(12(2)22-25)21-19(27)15-11-16(24(4)23-15)20-18(26)14-9-7-6-8-10-14/h11,14H,5-10H2,1-4H3,(H,20,26)(H,21,27).
What are the key properties of 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide?
5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 51999836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).