1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H25N5O — CID 37353093

IUPAC1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(N4CCCC4)cn3)c3c2CCC3)cc1
InChIInChI=1S/C23H25N5O/c1-16-7-9-17(10-8-16)28-20-6-4-5-19(20)22(26-28)23(29)25-21-12-11-18(15-24-21)27-13-2-3-14-27/h7-12,15H,2-6,13-14H2,1H3,(H,24,25,29)
InChIKeyWMOCCBUJFDKMTI-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 37353093) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID37353093
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(N4CCCC4)cn3)c3c2CCC3)cc1
InChIInChI=1S/C23H25N5O/c1-16-7-9-17(10-8-16)28-20-6-4-5-19(20)22(26-28)23(29)25-21-12-11-18(15-24-21)27-13-2-3-14-27/h7-12,15H,2-6,13-14H2,1H3,(H,24,25,29)
InChIKeyWMOCCBUJFDKMTI-UHFFFAOYSA-N
XLogP3.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 78878139
1-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
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CID 47089826
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CID 87046834
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
N-(5-amino-2-methylphenyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
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N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146126250
N-[2-(methylamino)ethyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
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N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 37353093) is 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3ccc(N4CCCC4)cn3)c3c2CCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WMOCCBUJFDKMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-7-9-17(10-8-16)28-20-6-4-5-19(20)22(26-28)23(29)25-21-12-11-18(15-24-21)27-13-2-3-14-27/h7-12,15H,2-6,13-14H2,1H3,(H,24,25,29).
What are the key properties of 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(5-pyrrolidin-1-yl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 37353093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).