[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

C19H19N5O — CID 124998935

IUPAC[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCNC[C@@H]1c1ccccc1
InChIInChI=1S/C19H19N5O/c25-19(17-11-16(22-23-17)15-7-4-8-20-12-15)24-10-9-21-13-18(24)14-5-2-1-3-6-14/h1-8,11-12,18,21H,9-10,13H2,(H,22,23)/t18-/m1/s1
InChIKeyRLJKZHOEKDPJAD-GOSISDBHSA-N
MW333.40 g/mol
LogP2.26
Rot. Bonds3

About [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 124998935) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID124998935
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCNC[C@@H]1c1ccccc1
InChIInChI=1S/C19H19N5O/c25-19(17-11-16(22-23-17)15-7-4-8-20-12-15)24-10-9-21-13-18(24)14-5-2-1-3-6-14/h1-8,11-12,18,21H,9-10,13H2,(H,22,23)/t18-/m1/s1
InChIKeyRLJKZHOEKDPJAD-GOSISDBHSA-N
XLogP2.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810
[(3R)-4-methyl-3-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125026740
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732299
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731331
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74239837
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 124940543
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729069

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 124998935) is [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2cccnc2)n[nH]1)N1CCNC[C@@H]1c1ccccc1.
What is the InChIKey of [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is RLJKZHOEKDPJAD-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(17-11-16(22-23-17)15-7-4-8-20-12-15)24-10-9-21-13-18(24)14-5-2-1-3-6-14/h1-8,11-12,18,21H,9-10,13H2,(H,22,23)/t18-/m1/s1.
What are the key properties of [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 333.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenylpiperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 124998935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).