2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine

C15H29N3 — CID 62719497

IUPAC2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine
SMILESCCC(CC)n1cc(CCCNC(C)(C)C)cn1
InChIInChI=1S/C15H29N3/c1-6-14(7-2)18-12-13(11-17-18)9-8-10-16-15(3,4)5/h11-12,14,16H,6-10H2,1-5H3
InChIKeyZEDBWRDFQKAFHC-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.56
Rot. Bonds7

About 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine

2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine (PubChem CID 62719497) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine
PubChem CID62719497
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine
SMILESCCC(CC)n1cc(CCCNC(C)(C)C)cn1
InChIInChI=1S/C15H29N3/c1-6-14(7-2)18-12-13(11-17-18)9-8-10-16-15(3,4)5/h11-12,14,16H,6-10H2,1-5H3
InChIKeyZEDBWRDFQKAFHC-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(1-pentan-3-ylpyrazol-4-yl)propan-1-amine
CID 62719656
4-[4-[3-(tert-butylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719123
N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62717967
N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride
CID 122240417
N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62719146
N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 63278706
3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
CID 129368046
2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115716328
N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
N-[3-[6-(2,2-dimethylpropyl)-3-pyridinyl]propyl]-2-methylpropan-2-amine
CID 134488813
N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
CID 113410445
N-tert-butyl-4-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine (CID 62719497) is 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine is CCC(CC)n1cc(CCCNC(C)(C)C)cn1.
What is the InChIKey of 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine?
The InChIKey is ZEDBWRDFQKAFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-14(7-2)18-12-13(11-17-18)9-8-10-16-15(3,4)5/h11-12,14,16H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine?
2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine is sourced from PubChem (CID 62719497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).