(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone

C19H19N5O — CID 118215004

IUPAC(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccncc2)n(-c2ccccc2)n1)N1CCNCC1
InChIInChI=1S/C19H19N5O/c25-19(23-12-10-21-11-13-23)17-14-18(15-6-8-20-9-7-15)24(22-17)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2
InChIKeyAAIVVJWKRGDKOZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.98
Rot. Bonds3

About (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone

(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 118215004) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
PubChem CID118215004
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(-c2ccncc2)n(-c2ccccc2)n1)N1CCNCC1
InChIInChI=1S/C19H19N5O/c25-19(23-12-10-21-11-13-23)17-14-18(15-6-8-20-9-7-15)24(22-17)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2
InChIKeyAAIVVJWKRGDKOZ-UHFFFAOYSA-N
XLogP1.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one
CID 118215149
8-[1-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 118215001
2-azaspiro[3.3]heptan-2-yl-(1,5-diphenylpyrazol-3-yl)methanone
CID 155952705
3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 118215059
[5-(3-chloro-5-fluorophenyl)-1-(5-chloro-3-pyridinyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 141365455
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazol-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 118215094
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 53067825
1-phenyl-5-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 53006265
piperazin-1-yl(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 71778231
N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53067847

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone (CID 118215004) is (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone is O=C(c1cc(-c2ccncc2)n(-c2ccccc2)n1)N1CCNCC1.
What is the InChIKey of (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is AAIVVJWKRGDKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(23-12-10-21-11-13-23)17-14-18(15-6-8-20-9-7-15)24(22-17)16-4-2-1-3-5-16/h1-9,14,21H,10-13H2.
What are the key properties of (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone?
(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 333.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 118215004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).