2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine

C13H25N3 — CID 115632221

IUPAC2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
SMILESCCCn1cc(CNC(CC)C(C)C)cn1
InChIInChI=1S/C13H25N3/c1-5-7-16-10-12(9-15-16)8-14-13(6-2)11(3)4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyDWFDRCUVPGDZJQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.82
Rot. Bonds7

About 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine

2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine (PubChem CID 115632221) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
PubChem CID115632221
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
SMILESCCCn1cc(CNC(CC)C(C)C)cn1
InChIInChI=1S/C13H25N3/c1-5-7-16-10-12(9-15-16)8-14-13(6-2)11(3)4/h9-11,13-14H,5-8H2,1-4H3
InChIKeyDWFDRCUVPGDZJQ-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-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

(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
N-[(1-propylpyrazol-4-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 103571505
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424
N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059
1-[(1-propylpyrazol-4-yl)methylamino]pentan-3-ol
CID 115703165
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-[(1-ethylpyrazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65049198
2-[4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 64830214
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
CID 115715289
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine (CID 115632221) is 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine is CCCn1cc(CNC(CC)C(C)C)cn1.
What is the InChIKey of 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine?
The InChIKey is DWFDRCUVPGDZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-16-10-12(9-15-16)8-14-13(6-2)11(3)4/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine?
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 115632221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).