1-[(2S)-butan-2-yl]pyrazol-3-amine

C7H13N3 — CID 28841775

IUPAC1-[(2S)-butan-2-yl]pyrazol-3-amine
SMILESCC[C@H](C)n1ccc(N)n1
InChIInChI=1S/C7H13N3/c1-3-6(2)10-5-4-7(8)9-10/h4-6H,3H2,1-2H3,(H2,8,9)/t6-/m0/s1
InChIKeyAEXLEATWNKMVOX-LURJTMIESA-N
MW139.20 g/mol
LogP1.44
Rot. Bonds2

About 1-[(2S)-butan-2-yl]pyrazol-3-amine

1-[(2S)-butan-2-yl]pyrazol-3-amine (PubChem CID 28841775) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]pyrazol-3-amine
PubChem CID28841775
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-[(2S)-butan-2-yl]pyrazol-3-amine
SMILESCC[C@H](C)n1ccc(N)n1
InChIInChI=1S/C7H13N3/c1-3-6(2)10-5-4-7(8)9-10/h4-6H,3H2,1-2H3,(H2,8,9)/t6-/m0/s1
InChIKeyAEXLEATWNKMVOX-LURJTMIESA-N
XLogP1.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-3-propan-2-ylpyrazole
CID 66015540
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
5-(1-butan-2-ylpyrazol-3-yl)-4,4-dimethylpentan-2-amine
CID 64778198
3-(3-bromobutyl)-1-butan-2-ylpyrazole
CID 64779633
1-(2-methylbutyl)pyrazol-3-amine
CID 62103459
[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methanamine
CID 64778489
3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 64777550
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
CID 65020467
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
6-(1-butan-2-ylpyrazol-3-yl)-2-methylhexan-3-amine
CID 64778152
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
(1-butan-2-ylpyrazol-3-yl)-dimethyl-methylsulfanyl-λ4-sulfane
CID 123136106

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]pyrazol-3-amine?
The IUPAC name of 1-[(2S)-butan-2-yl]pyrazol-3-amine (CID 28841775) is 1-[(2S)-butan-2-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]pyrazol-3-amine?
The canonical SMILES for 1-[(2S)-butan-2-yl]pyrazol-3-amine is CC[C@H](C)n1ccc(N)n1.
What is the InChIKey of 1-[(2S)-butan-2-yl]pyrazol-3-amine?
The InChIKey is AEXLEATWNKMVOX-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3/c1-3-6(2)10-5-4-7(8)9-10/h4-6H,3H2,1-2H3,(H2,8,9)/t6-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]pyrazol-3-amine?
1-[(2S)-butan-2-yl]pyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]pyrazol-3-amine is sourced from PubChem (CID 28841775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).