3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine

C22H26N4O — CID 119109389

IUPAC3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESc1ccc(-n2cc(CNCCCOCC3CC3)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-2-7-21(8-3-1)26-16-20(22(25-26)19-6-4-11-23-14-19)15-24-12-5-13-27-17-18-9-10-18/h1-4,6-8,11,14,16,18,24H,5,9-10,12-13,15,17H2
InChIKeyQAZHDJSQXYRRQH-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.84
Rot. Bonds10

About 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 119109389) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID119109389
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESc1ccc(-n2cc(CNCCCOCC3CC3)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C22H26N4O/c1-2-7-21(8-3-1)26-16-20(22(25-26)19-6-4-11-23-14-19)15-24-12-5-13-27-17-18-9-10-18/h1-4,6-8,11,14,16,18,24H,5,9-10,12-13,15,17H2
InChIKeyQAZHDJSQXYRRQH-UHFFFAOYSA-N
XLogP3.84
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine 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

2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531
4-[[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962279
3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine
CID 62823710
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
CID 119122477
(2R)-2-morpholin-4-yl-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 30961231
N-(4-hydroxycyclohexyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 78767481
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
N-[4-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]phenyl]propanamide
CID 154835621

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine (CID 119109389) is 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine is c1ccc(-n2cc(CNCCCOCC3CC3)c(-c3cccnc3)n2)cc1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is QAZHDJSQXYRRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-7-21(8-3-1)26-16-20(22(25-26)19-6-4-11-23-14-19)15-24-12-5-13-27-17-18-9-10-18/h1-4,6-8,11,14,16,18,24H,5,9-10,12-13,15,17H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 362.48 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 119109389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).