(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone

C18H21N3O — CID 39992588

IUPAC(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCCCC1
InChIInChI=1S/C18H21N3O/c22-18(20-11-5-2-6-12-20)16-13-19-21(17(16)14-9-10-14)15-7-3-1-4-8-15/h1,3-4,7-8,13-14H,2,5-6,9-12H2
InChIKeyJZENPBBDKZSGHT-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.38
Rot. Bonds3

About (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone

(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone (PubChem CID 39992588) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
PubChem CID39992588
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCCCC1
InChIInChI=1S/C18H21N3O/c22-18(20-11-5-2-6-12-20)16-13-19-21(17(16)14-9-10-14)15-7-3-1-4-8-15/h1,3-4,7-8,13-14H,2,5-6,9-12H2
InChIKeyJZENPBBDKZSGHT-UHFFFAOYSA-N
XLogP3.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-piperidin-1-ylmethanone
CID 36978780
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51933899
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647191
[4-(3-aminopropoxy)piperidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 119663795
[1-(4-chlorophenyl)-5-(4-piperidin-1-ylcyclohexyl)pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67974618
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541281
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 120806575
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20953845
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112814345
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride
CID 146059766
1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802149

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone (CID 39992588) is (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone is O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCCCC1.
What is the InChIKey of (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone?
The InChIKey is JZENPBBDKZSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(20-11-5-2-6-12-20)16-13-19-21(17(16)14-9-10-14)15-7-3-1-4-8-15/h1,3-4,7-8,13-14H,2,5-6,9-12H2.
What are the key properties of (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone?
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone has a molecular weight of 295.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 39992588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).