5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide

C16H22N6O2 — CID 51999721

IUPAC5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
SMILESCCn1ccc(NC(=O)c2cc(NC(=O)C3CCCC3)n(C)n2)n1
InChIInChI=1S/C16H22N6O2/c1-3-22-9-8-13(20-22)17-16(24)12-10-14(21(2)19-12)18-15(23)11-6-4-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,23)(H,17,20,24)
InChIKeyNRODHKIRFQAHFQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.02
Rot. Bonds5

About 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide

5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 51999721) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
PubChem CID51999721
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
SMILESCCn1ccc(NC(=O)c2cc(NC(=O)C3CCCC3)n(C)n2)n1
InChIInChI=1S/C16H22N6O2/c1-3-22-9-8-13(20-22)17-16(24)12-10-14(21(2)19-12)18-15(23)11-6-4-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,23)(H,17,20,24)
InChIKeyNRODHKIRFQAHFQ-UHFFFAOYSA-N
XLogP2.02
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 51999836
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 51999857
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
5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 51999642
N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999876
5-(cyclopentanecarbonylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 51999682
5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 51999865
N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide
CID 51999662

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide (CID 51999721) is 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide is CCn1ccc(NC(=O)c2cc(NC(=O)C3CCCC3)n(C)n2)n1.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is NRODHKIRFQAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-22-9-8-13(20-22)17-16(24)12-10-14(21(2)19-12)18-15(23)11-6-4-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,23)(H,17,20,24).
What are the key properties of 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide?
5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 51999721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).