N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine

C17H26N4O — CID 46961974

IUPACN-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCC(C)OCCCN(Cc1cnn(C)c1)Cc1ccccn1
InChIInChI=1S/C17H26N4O/c1-15(2)22-10-6-9-21(13-16-11-19-20(3)12-16)14-17-7-4-5-8-18-17/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3
InChIKeyPCKMEQRLZSUUNY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.63
Rot. Bonds9

About N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine

N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 46961974) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID46961974
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCC(C)OCCCN(Cc1cnn(C)c1)Cc1ccccn1
InChIInChI=1S/C17H26N4O/c1-15(2)22-10-6-9-21(13-16-11-19-20(3)12-16)14-17-7-4-5-8-18-17/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3
InChIKeyPCKMEQRLZSUUNY-UHFFFAOYSA-N
XLogP2.63
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)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-{4-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazinyl}ethanol
CID 16191494
2-{2-[4-(1-tert-butyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}pyridine
CID 50978449
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685
N-methyl-N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]methanamine
CID 6899954
1-(Pyridin-2-ylmethyl)-1H-pyrazole-4-boronic acid, pinacol ester
CID 17999186
1-[(1-Methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine
CID 29257990
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 46954018
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954055
3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954061
N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46954082
N'-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961963

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine (CID 46961974) is N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine is CC(C)OCCCN(Cc1cnn(C)c1)Cc1ccccn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is PCKMEQRLZSUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-15(2)22-10-6-9-21(13-16-11-19-20(3)12-16)14-17-7-4-5-8-18-17/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine?
N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 302.42 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 46961974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).