(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

C21H22N4O — CID 70718443

IUPAC(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C21H22N4O/c26-21(20-14-23-25(16-20)15-17-4-2-1-3-5-17)24-12-8-19(9-13-24)18-6-10-22-11-7-18/h1-7,10-11,14,16,19H,8-9,12-13,15H2
InChIKeyNKBKCEDZHWXSBT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.35
Rot. Bonds4

About (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 70718443) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID70718443
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn(Cc2ccccc2)c1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C21H22N4O/c26-21(20-14-23-25(16-20)15-17-4-2-1-3-5-17)24-12-8-19(9-13-24)18-6-10-22-11-7-18/h1-7,10-11,14,16,19H,8-9,12-13,15H2
InChIKeyNKBKCEDZHWXSBT-UHFFFAOYSA-N
XLogP3.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 46564681
(1-benzylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119636679
(1-benzylpyrazol-4-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823394
[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301
(1-benzylpyrazol-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763357
(1-benzylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024012
(1-benzylpyrazol-4-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698614
(1-benzylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489971
(1-benzylpyrazol-4-yl)-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97126462
(1-benzylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470460
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460804

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (CID 70718443) is (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is O=C(c1cnn(Cc2ccccc2)c1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is NKBKCEDZHWXSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(20-14-23-25(16-20)15-17-4-2-1-3-5-17)24-12-8-19(9-13-24)18-6-10-22-11-7-18/h1-7,10-11,14,16,19H,8-9,12-13,15H2.
What are the key properties of (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
(1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrazol-4-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 70718443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).