[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone

C23H25FN6O — CID 91818384

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C23H25FN6O/c1-28-21(15-20(27-28)16-6-8-18(24)9-7-16)23(31)30-12-10-29(11-13-30)22-14-17-4-2-3-5-19(17)25-26-22/h6-9,14-15H,2-5,10-13H2,1H3
InChIKeyPANWTTGXRFSMOT-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.86
Rot. Bonds3

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone (PubChem CID 91818384) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
PubChem CID91818384
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C23H25FN6O/c1-28-21(15-20(27-28)16-6-8-18(24)9-7-16)23(31)30-12-10-29(11-13-30)22-14-17-4-2-3-5-19(17)25-26-22/h6-9,14-15H,2-5,10-13H2,1H3
InChIKeyPANWTTGXRFSMOT-UHFFFAOYSA-N
XLogP2.86
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(4-ethylphenyl)-1-methylpyrazol-5-yl]methanone
CID 122281461
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341598
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122339011
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336996
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122281024
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122351406
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42758562
(2-fluorophenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone
CID 91632708
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 122351720
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349110
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 119105973

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone (CID 91818384) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone is Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(c2cc3c(nn2)CCCC3)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
The InChIKey is PANWTTGXRFSMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-28-21(15-20(27-28)16-6-8-18(24)9-7-16)23(31)30-12-10-29(11-13-30)22-14-17-4-2-3-5-19(17)25-26-22/h6-9,14-15H,2-5,10-13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone has a molecular weight of 420.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91818384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).