N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

C22H27N5O — CID 39949423

IUPACN-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C22H27N5O/c1-16-20(17(2)26(25-16)18-8-4-3-5-9-18)12-13-22(28)24-21-14-15-23-27(21)19-10-6-7-11-19/h3-5,8-9,14-15,19H,6-7,10-13H2,1-2H3,(H,24,28)
InChIKeyGFLWMYYSNSQONZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.37
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (PubChem CID 39949423) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
PubChem CID39949423
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccnn1C1CCCC1
InChIInChI=1S/C22H27N5O/c1-16-20(17(2)26(25-16)18-8-4-3-5-9-18)12-13-22(28)24-21-14-15-23-27(21)19-10-6-7-11-19/h3-5,8-9,14-15,19H,6-7,10-13H2,1-2H3,(H,24,28)
InChIKeyGFLWMYYSNSQONZ-UHFFFAOYSA-N
XLogP4.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
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N-(3-chloro-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
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2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (CID 39949423) is N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The InChIKey is GFLWMYYSNSQONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-20(17(2)26(25-16)18-8-4-3-5-9-18)12-13-22(28)24-21-14-15-23-27(21)19-10-6-7-11-19/h3-5,8-9,14-15,19H,6-7,10-13H2,1-2H3,(H,24,28).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 39949423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).