(2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone

C18H23N5O — CID 128715968

IUPAC(2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccnn1C1CCCC1)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C18H23N5O/c24-18(17-6-10-21-23(17)15-3-1-2-4-15)22-11-7-14(8-12-22)16-5-9-19-13-20-16/h5-6,9-10,13-15H,1-4,7-8,11-12H2
InChIKeyDMGZYYMVTOQBQV-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.81
Rot. Bonds3

About (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone

(2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone (PubChem CID 128715968) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
PubChem CID128715968
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccnn1C1CCCC1)N1CCC(c2ccncn2)CC1
InChIInChI=1S/C18H23N5O/c24-18(17-6-10-21-23(17)15-3-1-2-4-15)22-11-7-14(8-12-22)16-5-9-19-13-20-16/h5-6,9-10,13-15H,1-4,7-8,11-12H2
InChIKeyDMGZYYMVTOQBQV-UHFFFAOYSA-N
XLogP2.81
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-hydroxy-2-pyridinyl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 154846130
[(3R,5R)-5-(4-pyrimidin-4-ylpiperidine-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 72917725
(3R,4R)-1-(2-cyclopentylpyrazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978536
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 138008887
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 77080783
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
3-pyrimidin-4-ylazetidine-1-carbothioic S-acid
CID 155738169
[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 124755369
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975
N-[4-(hydroxymethyl)phenyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
CID 166262556
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95845680

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone (CID 128715968) is (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone is O=C(c1ccnn1C1CCCC1)N1CCC(c2ccncn2)CC1.
What is the InChIKey of (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
The InChIKey is DMGZYYMVTOQBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(17-6-10-21-23(17)15-3-1-2-4-15)22-11-7-14(8-12-22)16-5-9-19-13-20-16/h5-6,9-10,13-15H,1-4,7-8,11-12H2.
What are the key properties of (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone?
(2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrazol-3-yl)-(4-pyrimidin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 128715968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).