[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone

C14H18N4O — CID 168806655

IUPAC[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1N=CC[C@H]1c1ccccc1
InChIInChI=1S/C14H18N4O/c19-14(17-10-8-15-9-11-17)18-13(6-7-16-18)12-4-2-1-3-5-12/h1-5,7,13,15H,6,8-11H2/t13-/m0/s1
InChIKeyKZMGOPOOQGMZJM-ZDUSSCGKSA-N
MW258.32 g/mol
LogP1.44
Rot. Bonds1

About [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone

[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone (PubChem CID 168806655) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone
PubChem CID168806655
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1N=CC[C@H]1c1ccccc1
InChIInChI=1S/C14H18N4O/c19-14(17-10-8-15-9-11-17)18-13(6-7-16-18)12-4-2-1-3-5-12/h1-5,7,13,15H,6,8-11H2/t13-/m0/s1
InChIKeyKZMGOPOOQGMZJM-ZDUSSCGKSA-N
XLogP1.44
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 152623863
CID 131869061
CID 131869061
(3-phenyl-3,4-dihydropyrazol-2-yl)-[3-(1-phenylethylidene)azetidin-1-yl]methanone
CID 150480580
2,2-dimethyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 122703691
[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 156785746
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 166747364
azetidin-1-yl-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 162385835
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
[3-(2,5-difluorophenoxy)azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 150722383
N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
CID 122703629
[4-methyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]-phenylmethanone
CID 122703724

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone (CID 168806655) is [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone is O=C(N1CCNCC1)N1N=CC[C@H]1c1ccccc1.
What is the InChIKey of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone?
The InChIKey is KZMGOPOOQGMZJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(17-10-8-15-9-11-17)18-13(6-7-16-18)12-4-2-1-3-5-12/h1-5,7,13,15H,6,8-11H2/t13-/m0/s1.
What are the key properties of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone?
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone has a molecular weight of 258.32 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 168806655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).