1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine

C19H26N4O — CID 56796531

IUPAC1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine
SMILESCOc1cccc(-c2[nH]ncc2CNC2CCN(C3CC3)CC2)c1
InChIInChI=1S/C19H26N4O/c1-24-18-4-2-3-14(11-18)19-15(13-21-22-19)12-20-16-7-9-23(10-8-16)17-5-6-17/h2-4,11,13,16-17,20H,5-10,12H2,1H3,(H,21,22)
InChIKeyXXCYLWGZSGPQGN-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.80
Rot. Bonds6

About 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine

1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine (PubChem CID 56796531) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine
PubChem CID56796531
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine
SMILESCOc1cccc(-c2[nH]ncc2CNC2CCN(C3CC3)CC2)c1
InChIInChI=1S/C19H26N4O/c1-24-18-4-2-3-14(11-18)19-15(13-21-22-19)12-20-16-7-9-23(10-8-16)17-5-6-17/h2-4,11,13,16-17,20H,5-10,12H2,1H3,(H,21,22)
InChIKeyXXCYLWGZSGPQGN-UHFFFAOYSA-N
XLogP2.80
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine (CID 56796531) is 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine is COc1cccc(-c2[nH]ncc2CNC2CCN(C3CC3)CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is XXCYLWGZSGPQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-24-18-4-2-3-14(11-18)19-15(13-21-22-19)12-20-16-7-9-23(10-8-16)17-5-6-17/h2-4,11,13,16-17,20H,5-10,12H2,1H3,(H,21,22).
What are the key properties of 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine?
1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 56796531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).