N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine

C18H25N3 — CID 63963923

IUPACN-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1C)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25N3/c1-3-13-19-17(16-10-14-20-21(16)2)18(11-7-12-18)15-8-5-4-6-9-15/h4-6,8-10,14,17,19H,3,7,11-13H2,1-2H3
InChIKeySSWXEQFALYGAHO-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds6

About N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine

N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine (PubChem CID 63963923) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
PubChem CID63963923
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1C)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25N3/c1-3-13-19-17(16-10-14-20-21(16)2)18(11-7-12-18)15-8-5-4-6-9-15/h4-6,8-10,14,17,19H,3,7,11-13H2,1-2H3
InChIKeySSWXEQFALYGAHO-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)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-methylpyrazol-3-yl)-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217018
N-[(1-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 103130823
N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815
N-[(1-methylpyrazol-4-yl)-(1-phenylcyclopropyl)methyl]propan-1-amine
CID 63079873
N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858855
N-[1-(1-phenylcyclopentyl)ethyl]propan-1-amine
CID 63079548
N-[(5-methylthiophen-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 65105153
[(2-ethylpyrazol-3-yl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217491
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 63977043
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
CID 63962466
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine (CID 63963923) is N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine is CCCNC(c1ccnn1C)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
The InChIKey is SSWXEQFALYGAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-13-19-17(16-10-14-20-21(16)2)18(11-7-12-18)15-8-5-4-6-9-15/h4-6,8-10,14,17,19H,3,7,11-13H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine?
N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)-(1-phenylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 63963923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).