5-butan-2-yl-4-propyl-1H-pyrazol-3-amine

C10H19N3 — CID 79405920

IUPAC5-butan-2-yl-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1C(C)CC
InChIInChI=1S/C10H19N3/c1-4-6-8-9(7(3)5-2)12-13-10(8)11/h7H,4-6H2,1-3H3,(H3,11,12,13)
InChIKeyIZAVGVCPWGSRFD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.46
Rot. Bonds4

About 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine

5-butan-2-yl-4-propyl-1H-pyrazol-3-amine (PubChem CID 79405920) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-butan-2-yl-4-propyl-1H-pyrazol-3-amine
PubChem CID79405920
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-butan-2-yl-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1C(C)CC
InChIInChI=1S/C10H19N3/c1-4-6-8-9(7(3)5-2)12-13-10(8)11/h7H,4-6H2,1-3H3,(H3,11,12,13)
InChIKeyIZAVGVCPWGSRFD-UHFFFAOYSA-N
XLogP2.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine (CID 79405920) is 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine is CCCc1c(N)n[nH]c1C(C)CC.
What is the InChIKey of 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine?
The InChIKey is IZAVGVCPWGSRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-6-8-9(7(3)5-2)12-13-10(8)11/h7H,4-6H2,1-3H3,(H3,11,12,13).
What are the key properties of 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine?
5-butan-2-yl-4-propyl-1H-pyrazol-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 79405920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).