N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide

C19H23N5O3 — CID 51999662

IUPACN-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide
SMILESCn1nc(C(=O)CC(=O)Nc2ccc(N)cc2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C19H23N5O3/c1-24-17(22-19(27)12-4-2-3-5-12)10-15(23-24)16(25)11-18(26)21-14-8-6-13(20)7-9-14/h6-10,12H,2-5,11,20H2,1H3,(H,21,26)(H,22,27)
InChIKeyJPQZRMQGPQUCCM-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.34
Rot. Bonds6

About N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide

N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide (PubChem CID 51999662) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide
PubChem CID51999662
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide
SMILESCn1nc(C(=O)CC(=O)Nc2ccc(N)cc2)cc1NC(=O)C1CCCC1
InChIInChI=1S/C19H23N5O3/c1-24-17(22-19(27)12-4-2-3-5-12)10-15(23-24)16(25)11-18(26)21-14-8-6-13(20)7-9-14/h6-10,12H,2-5,11,20H2,1H3,(H,21,26)(H,22,27)
InChIKeyJPQZRMQGPQUCCM-UHFFFAOYSA-N
XLogP2.34
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
5-(cyclohexanecarbonylamino)-1-methyl-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 51999857
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclopentanecarbonylamino)-1-methyl-N-(4-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 51999642
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
3-(5-acetamido-1-phenylpyrazol-3-yl)-N-(4-aminophenyl)-3-oxopropanamide
CID 51999466
1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 51999806
5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
CID 51999721
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
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide (CID 51999662) is N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide is Cn1nc(C(=O)CC(=O)Nc2ccc(N)cc2)cc1NC(=O)C1CCCC1.
What is the InChIKey of N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide?
The InChIKey is JPQZRMQGPQUCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-24-17(22-19(27)12-4-2-3-5-12)10-15(23-24)16(25)11-18(26)21-14-8-6-13(20)7-9-14/h6-10,12H,2-5,11,20H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide?
N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-aminoanilino)-3-oxopropanoyl]-1-methylpyrazol-5-yl]cyclopentanecarboxamide is sourced from PubChem (CID 51999662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).