3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine

C10H19N3 — CID 129368046

IUPAC3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
SMILESCC[C@@H](C)n1cc(CCCN)cn1
InChIInChI=1S/C10H19N3/c1-3-9(2)13-8-10(7-12-13)5-4-6-11/h7-9H,3-6,11H2,1-2H3/t9-/m1/s1
InChIKeyLVWJSTZGEQQOHU-SECBINFHSA-N
MW181.28 g/mol
LogP1.75
Rot. Bonds5

About 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine

3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine (PubChem CID 129368046) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
PubChem CID129368046
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
SMILESCC[C@@H](C)n1cc(CCCN)cn1
InChIInChI=1S/C10H19N3/c1-3-9(2)13-8-10(7-12-13)5-4-6-11/h7-9H,3-6,11H2,1-2H3/t9-/m1/s1
InChIKeyLVWJSTZGEQQOHU-SECBINFHSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-4-ethylpyrazole
CID 153355505
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
2-(1-butan-2-ylpyrazol-4-yl)ethanimidamide
CID 112712320
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270583
4-bromo-1-[(2S)-butan-2-yl]pyrazole
CID 51892128
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
4-(3-chloropropyl)-1-propan-2-ylpyrazole
CID 62719458
N-ethyl-3-(1-pentan-3-ylpyrazol-4-yl)propan-1-amine
CID 62719656
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride
CID 122240417
1-[(2S)-butan-2-yl]pyrazole-4-carbaldehyde
CID 42575026
2-methyl-N-[3-(1-pentan-3-ylpyrazol-4-yl)propyl]propan-2-amine
CID 62719497

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine (CID 129368046) is 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine is CC[C@@H](C)n1cc(CCCN)cn1.
What is the InChIKey of 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine?
The InChIKey is LVWJSTZGEQQOHU-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-9(2)13-8-10(7-12-13)5-4-6-11/h7-9H,3-6,11H2,1-2H3/t9-/m1/s1.
What are the key properties of 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine?
3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 129368046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).