3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine

C8H15N3 — CID 82416778

IUPAC3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine
SMILESCC(C)C(N)Cc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-6(2)8(9)3-7-4-10-11-5-7/h4-6,8H,3,9H2,1-2H3,(H,10,11)
InChIKeyJZPKTKFBYXFQNR-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.94
Rot. Bonds3

About 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine

3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine (PubChem CID 82416778) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine
PubChem CID82416778
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine
SMILESCC(C)C(N)Cc1cn[nH]c1
InChIInChI=1S/C8H15N3/c1-6(2)8(9)3-7-4-10-11-5-7/h4-6,8H,3,9H2,1-2H3,(H,10,11)
InChIKeyJZPKTKFBYXFQNR-UHFFFAOYSA-N
XLogP0.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrazol-4-yl)propan-2-ol
CID 83675069
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 79012897
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
1-(1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 71757321
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
1H-pyrazol-4-ylmethanol
CID 3015210
1-(1H-pyrazol-4-yl)hexan-2-yl formate
CID 175288124
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
CID 82962080
N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 22929644
2-(1H-pyrazol-4-ylmethylsulfanyl)propan-1-ol
CID 130174637
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine (CID 82416778) is 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine is CC(C)C(N)Cc1cn[nH]c1.
What is the InChIKey of 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine?
The InChIKey is JZPKTKFBYXFQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(2)8(9)3-7-4-10-11-5-7/h4-6,8H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine?
3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 82416778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).