[3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C18H19N5OS — CID 70744403

IUPAC[3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H19N5OS/c24-17(21-8-10-22(11-9-21)18-19-6-12-25-18)16-4-1-3-15(13-16)14-23-7-2-5-20-23/h1-7,12-13H,8-11,14H2
InChIKeyZANUOXIWNWRBLO-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.35
Rot. Bonds4

About [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 70744403) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID70744403
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name[3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H19N5OS/c24-17(21-8-10-22(11-9-21)18-19-6-12-25-18)16-4-1-3-15(13-16)14-23-7-2-5-20-23/h1-7,12-13H,8-11,14H2
InChIKeyZANUOXIWNWRBLO-UHFFFAOYSA-N
XLogP2.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenyl-1,4-diazepan-1-yl)-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 70775196
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
N-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 36818842
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35762825
(3-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29051874
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35763249
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35763250
[3-(pyrazol-1-ylmethyl)phenyl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95128394
[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 51590141
[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 95147815
2-[(3S)-1-[3-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-3-yl]benzoic acid
CID 95724669

Frequently Asked Questions

What is the IUPAC name of [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 70744403) is [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cccc(Cn2cccn2)c1)N1CCN(c2nccs2)CC1.
What is the InChIKey of [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is ZANUOXIWNWRBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(21-8-10-22(11-9-21)18-19-6-12-25-18)16-4-1-3-15(13-16)14-23-7-2-5-20-23/h1-7,12-13H,8-11,14H2.
What are the key properties of [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 353.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyrazol-1-ylmethyl)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70744403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).