(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone

C22H23N3O2 — CID 126788191

IUPAC(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
SMILESO=C(c1nn(-c2ccccc2)cc1O)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-20-16-25(19-11-5-2-6-12-19)23-21(20)22(27)24-14-7-10-18(13-15-24)17-8-3-1-4-9-17/h1-6,8-9,11-12,16,18,26H,7,10,13-15H2
InChIKeyUTZRXOSEPXADMG-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.99
Rot. Bonds3

About (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone

(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone (PubChem CID 126788191) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
PubChem CID126788191
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
SMILESO=C(c1nn(-c2ccccc2)cc1O)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c26-20-16-25(19-11-5-2-6-12-19)23-21(20)22(27)24-14-7-10-18(13-15-24)17-8-3-1-4-9-17/h1-6,8-9,11-12,16,18,26H,7,10,13-15H2
InChIKeyUTZRXOSEPXADMG-UHFFFAOYSA-N
XLogP3.99
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542663
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
[4-(3-aminopropoxy)piperidin-1-yl]-(4-hydroxy-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119661589
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111969897
(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576249
(4aR,7aS)-1-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 120684145
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015112
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 97015113
[5-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015114
(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
CID 118741514

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone?
The IUPAC name of (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone (CID 126788191) is (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone?
The canonical SMILES for (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone is O=C(c1nn(-c2ccccc2)cc1O)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone?
The InChIKey is UTZRXOSEPXADMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-20-16-25(19-11-5-2-6-12-19)23-21(20)22(27)24-14-7-10-18(13-15-24)17-8-3-1-4-9-17/h1-6,8-9,11-12,16,18,26H,7,10,13-15H2.
What are the key properties of (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone?
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone is sourced from PubChem (CID 126788191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).