3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine

C10H19N3 — CID 105422777

IUPAC3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCC(C)c1cn(C)nc1CCCN
InChIInChI=1S/C10H19N3/c1-8(2)9-7-13(3)12-10(9)5-4-6-11/h7-8H,4-6,11H2,1-3H3
InChIKeySCIWCMIJMPXFGK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds4

About 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine

3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 105422777) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID105422777
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCC(C)c1cn(C)nc1CCCN
InChIInChI=1S/C10H19N3/c1-8(2)9-7-13(3)12-10(9)5-4-6-11/h7-8H,4-6,11H2,1-3H3
InChIKeySCIWCMIJMPXFGK-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 105422777) is 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine is CC(C)c1cn(C)nc1CCCN.
What is the InChIKey of 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is SCIWCMIJMPXFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)9-7-13(3)12-10(9)5-4-6-11/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine?
3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 105422777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).