4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C18H23N5O — CID 128753643

IUPAC4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCc1c(NC(=O)N2CC3CCC(N)C3C2)cnn1-c1ccccc1
InChIInChI=1S/C18H23N5O/c1-12-17(9-20-23(12)14-5-3-2-4-6-14)21-18(24)22-10-13-7-8-16(19)15(13)11-22/h2-6,9,13,15-16H,7-8,10-11,19H2,1H3,(H,21,24)
InChIKeyJNKHCWSHRVDQDB-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.38
Rot. Bonds2

About 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 128753643) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID128753643
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCc1c(NC(=O)N2CC3CCC(N)C3C2)cnn1-c1ccccc1
InChIInChI=1S/C18H23N5O/c1-12-17(9-20-23(12)14-5-3-2-4-6-14)21-18(24)22-10-13-7-8-16(19)15(13)11-22/h2-6,9,13,15-16H,7-8,10-11,19H2,1H3,(H,21,24)
InChIKeyJNKHCWSHRVDQDB-UHFFFAOYSA-N
XLogP2.38
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 124885834
(3aR,6aR)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CID 128618290
(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 124843438
N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
1-(5-methyl-1-phenylpyrazol-4-yl)-3-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]urea
CID 99703347
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
ethyl (Z)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]but-2-enoate
CID 70394620
5-methyl-1-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102969
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 156605171
(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 99615411

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 128753643) is 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is Cc1c(NC(=O)N2CC3CCC(N)C3C2)cnn1-c1ccccc1.
What is the InChIKey of 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is JNKHCWSHRVDQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-17(9-20-23(12)14-5-3-2-4-6-14)21-18(24)22-10-13-7-8-16(19)15(13)11-22/h2-6,9,13,15-16H,7-8,10-11,19H2,1H3,(H,21,24).
What are the key properties of 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 128753643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).