(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone

C19H25N5O — CID 130187631

IUPAC(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(c3cccc(N4CCCC4)c3)CC2)c1
InChIInChI=1S/C19H25N5O/c1-16-14-20-24(15-16)19(25)23-11-9-22(10-12-23)18-6-4-5-17(13-18)21-7-2-3-8-21/h4-6,13-15H,2-3,7-12H2,1H3
InChIKeyCBZUIBHYSHLUPV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.58
Rot. Bonds2

About (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone

(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone (PubChem CID 130187631) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
PubChem CID130187631
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
SMILESCc1cnn(C(=O)N2CCN(c3cccc(N4CCCC4)c3)CC2)c1
InChIInChI=1S/C19H25N5O/c1-16-14-20-24(15-16)19(25)23-11-9-22(10-12-23)18-6-4-5-17(13-18)21-7-2-3-8-21/h4-6,13-15H,2-3,7-12H2,1H3
InChIKeyCBZUIBHYSHLUPV-UHFFFAOYSA-N
XLogP2.58
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)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-(3-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526982
(4-methylpyrazol-1-yl)-[7-[(3-pyrrolidin-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 145316137
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526572
(4-phenylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526728
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
(4-methylpyrazol-1-yl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 130187640
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 130187615
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone (CID 130187631) is (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone is Cc1cnn(C(=O)N2CCN(c3cccc(N4CCCC4)c3)CC2)c1.
What is the InChIKey of (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is CBZUIBHYSHLUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-16-14-20-24(15-16)19(25)23-11-9-22(10-12-23)18-6-4-5-17(13-18)21-7-2-3-8-21/h4-6,13-15H,2-3,7-12H2,1H3.
What are the key properties of (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone?
(4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrazol-1-yl)-[4-(3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 130187631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).