(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone

C19H23FN4O — CID 126806453

IUPAC(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone
SMILESCC1CN(c2ccccc2F)CCN1C(=O)c1cn(C)nc1C1CC1
InChIInChI=1S/C19H23FN4O/c1-13-11-23(17-6-4-3-5-16(17)20)9-10-24(13)19(25)15-12-22(2)21-18(15)14-7-8-14/h3-6,12-14H,7-11H2,1-2H3
InChIKeyUOBCEWUBSAKHTB-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.79
Rot. Bonds3

About (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone

(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone (PubChem CID 126806453) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone
PubChem CID126806453
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone
SMILESCC1CN(c2ccccc2F)CCN1C(=O)c1cn(C)nc1C1CC1
InChIInChI=1S/C19H23FN4O/c1-13-11-23(17-6-4-3-5-16(17)20)9-10-24(13)19(25)15-12-22(2)21-18(15)14-7-8-14/h3-6,12-14H,7-11H2,1-2H3
InChIKeyUOBCEWUBSAKHTB-UHFFFAOYSA-N
XLogP2.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 99830247
5-[4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564991
[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 136564992
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
CID 124846255
1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 124743461
methyl 4-[3-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]benzoate
CID 86876273
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 119046286
[4-[5-(4-ethylpiperazin-1-yl)-4-fluoro-2-nitrophenyl]-2-methylpiperazin-1-yl]-(2-fluorophenyl)methanone
CID 5294976
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 146080413
1-[4-[(3R)-4-(2,6-difluorobenzoyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]ethanone
CID 1307415
(2-fluorophenyl)-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]methanone
CID 3884487
2-[(3S)-4-[5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,4-dimethylbenzoyl]-3-methylpiperazin-1-yl]-4,5-difluorobenzonitrile
CID 159049698

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone (CID 126806453) is (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone is CC1CN(c2ccccc2F)CCN1C(=O)c1cn(C)nc1C1CC1.
What is the InChIKey of (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone?
The InChIKey is UOBCEWUBSAKHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-11-23(17-6-4-3-5-16(17)20)9-10-24(13)19(25)15-12-22(2)21-18(15)14-7-8-14/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone?
(3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-methylpyrazol-4-yl)-[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 126806453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).