(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

C19H24N4O — CID 47023330

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c1
InChIInChI=1S/C19H24N4O/c1-14-3-2-4-15(11-14)13-22-7-9-23(10-8-22)19(24)18-12-17(20-21-18)16-5-6-16/h2-4,11-12,16H,5-10,13H2,1H3,(H,20,21)
InChIKeyQEUIMKFZCXFJSQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.55
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 47023330) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID47023330
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c1
InChIInChI=1S/C19H24N4O/c1-14-3-2-4-15(11-14)13-22-7-9-23(10-8-22)19(24)18-12-17(20-21-18)16-5-6-16/h2-4,11-12,16H,5-10,13H2,1H3,(H,20,21)
InChIKeyQEUIMKFZCXFJSQ-UHFFFAOYSA-N
XLogP2.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 47023330) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cccc(CN2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)c1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is QEUIMKFZCXFJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-3-2-4-15(11-14)13-22-7-9-23(10-8-22)19(24)18-12-17(20-21-18)16-5-6-16/h2-4,11-12,16H,5-10,13H2,1H3,(H,20,21).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 47023330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).