N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine

C9H17N3 — CID 62449280

IUPACN-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine
SMILESCNCCC(C)n1cc(C)cn1
InChIInChI=1S/C9H17N3/c1-8-6-11-12(7-8)9(2)4-5-10-3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyWGOOTDGFQISIOW-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.36
Rot. Bonds4

About N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine

N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine (PubChem CID 62449280) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine
PubChem CID62449280
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine
SMILESCNCCC(C)n1cc(C)cn1
InChIInChI=1S/C9H17N3/c1-8-6-11-12(7-8)9(2)4-5-10-3/h6-7,9-10H,4-5H2,1-3H3
InChIKeyWGOOTDGFQISIOW-UHFFFAOYSA-N
XLogP1.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine (CID 62449280) is N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine is CNCCC(C)n1cc(C)cn1.
What is the InChIKey of N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine?
The InChIKey is WGOOTDGFQISIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8-6-11-12(7-8)9(2)4-5-10-3/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine?
N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 62449280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).