3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine

C12H23N3 — CID 105463597

IUPAC3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine
SMILESCCCc1c(CCCN)cnn1C(C)C
InChIInChI=1S/C12H23N3/c1-4-6-12-11(7-5-8-13)9-14-15(12)10(2)3/h9-10H,4-8,13H2,1-3H3
InChIKeyIMNODVMACVPQKO-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.31
Rot. Bonds6

About 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine

3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine (PubChem CID 105463597) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine
PubChem CID105463597
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine
SMILESCCCc1c(CCCN)cnn1C(C)C
InChIInChI=1S/C12H23N3/c1-4-6-12-11(7-5-8-13)9-14-15(12)10(2)3/h9-10H,4-8,13H2,1-3H3
InChIKeyIMNODVMACVPQKO-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine (CID 105463597) is 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine is CCCc1c(CCCN)cnn1C(C)C.
What is the InChIKey of 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine?
The InChIKey is IMNODVMACVPQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-12-11(7-5-8-13)9-14-15(12)10(2)3/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine?
3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105463597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).