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

C10H19N3 — CID 82408091

IUPAC2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine
SMILESCC(C(N)c1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C10H19N3/c1-7(10(2,3)4)9(11)8-5-12-13-6-8/h5-7,9H,11H2,1-4H3,(H,12,13)
InChIKeyIWWRUEDNWBZJGJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.09
Rot. Bonds2

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

2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine (PubChem CID 82408091) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine
PubChem CID82408091
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine
SMILESCC(C(N)c1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C10H19N3/c1-7(10(2,3)4)9(11)8-5-12-13-6-8/h5-7,9H,11H2,1-4H3,(H,12,13)
InChIKeyIWWRUEDNWBZJGJ-UHFFFAOYSA-N
XLogP2.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 71757321
2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol
CID 130573210
2,2,2-trifluoro-1-(1H-pyrazol-4-yl)ethanamine
CID 118212236
1-(1H-pyrazol-4-yl)propan-1-amine
CID 62731706
1-(1H-pyrazol-4-yloxy)ethanamine
CID 117230019
4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid
CID 83879906
(2S)-2-amino-3-methyl-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]butanamide
CID 106212905
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236049
3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 106212730
1H-pyrazol-4-yl-(2,4,6-trimethylphenyl)methanamine
CID 82236033
4-[1-(1H-pyrazol-4-yl)ethyl]piperidine
CID 84657149
3-methyl-1-(1H-pyrazol-4-yl)butan-2-amine
CID 82416778

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine (CID 82408091) is 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine is CC(C(N)c1cn[nH]c1)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine?
The InChIKey is IWWRUEDNWBZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(10(2,3)4)9(11)8-5-12-13-6-8/h5-7,9H,11H2,1-4H3,(H,12,13).
What are the key properties of 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine?
2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1-(1H-pyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 82408091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).