1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole

Name: 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₈N₂ — CID 146392588

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole

SMILESCC(C)C1=CC(C)N(C)N1C

InChIInChI=1S/C9H18N2/c1-7(2)9-6-8(3)10(4)11(9)5/h6-8H,1-5H3

InChIKeyBKJSFQAOPXLJKU-UHFFFAOYSA-N

MW154.26 g/mol

LogP1.71

Rot. Bonds1

About 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole

1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole (PubChem CID 146392588) has the molecular formula C₉H₁₈N₂ and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole.

Molecular Properties

Compound Name	1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole
PubChem CID	146392588
Molecular Formula	C₉H₁₈N₂
Molecular Weight	154.26 g/mol
Exact Mass	154.15
IUPAC Name	1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole
SMILES	CC(C)C1=CC(C)N(C)N1C
InChI	InChI=1S/C9H18N2/c1-7(2)9-6-8(3)10(4)11(9)5/h6-8H,1-5H3
InChIKey	BKJSFQAOPXLJKU-UHFFFAOYSA-N
XLogP	1.71
TPSA	6.48 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.26
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole?

The IUPAC name of 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole (CID 146392588) is 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole.

What is the SMILES notation for 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole?

The canonical SMILES for 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole is CC(C)C1=CC(C)N(C)N1C.

What is the InChIKey of 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole?

The InChIKey is BKJSFQAOPXLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)9-6-8(3)10(4)11(9)5/h6-8H,1-5H3.

What are the key properties of 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole?

1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole has a molecular weight of 154.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole is sourced from PubChem (CID 146392588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146392588 — identifiers, structure, computed properties (public domain)

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