5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide

C21H27N5O3 — CID 51999642

IUPAC5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C21H27N5O3/c1-25-19(23-20(27)15-4-2-3-5-15)14-18(24-25)21(28)22-16-6-8-17(9-7-16)26-10-12-29-13-11-26/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyRUHMEFUFQJBTDW-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.64
Rot. Bonds5

About 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide

5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide (PubChem CID 51999642) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
PubChem CID51999642
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C21H27N5O3/c1-25-19(23-20(27)15-4-2-3-5-15)14-18(24-25)21(28)22-16-6-8-17(9-7-16)26-10-12-29-13-11-26/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyRUHMEFUFQJBTDW-UHFFFAOYSA-N
XLogP2.64
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 51999857
5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 51999836
5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide
CID 51999688
N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 16669340

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide (CID 51999642) is 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1NC(=O)C1CCCC1.
What is the InChIKey of 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is RUHMEFUFQJBTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-25-19(23-20(27)15-4-2-3-5-15)14-18(24-25)21(28)22-16-6-8-17(9-7-16)26-10-12-29-13-11-26/h6-9,14-15H,2-5,10-13H2,1H3,(H,22,28)(H,23,27).
What are the key properties of 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide?
5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 51999642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).