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

C9H18N2 — CID 146392588

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 Name1,2,3-trimethyl-5-propan-2-yl-3H-pyrazole
PubChem CID146392588
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,2,3-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
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5-tetramethyl-3H-pyrazole
CID 21766394
3-Tert-butyl-1,2-dimethyl-5-methylidenepyrazole
CID 58268878
1,5-Di(propan-2-yl)-2,3-dihydropyrrole
CID 59559329
1,2,5-tris(prop-2-enyl)-3H-pyrazole
CID 67289211
1-butyl-2,3,5-trimethyl-3H-pyrazole
CID 86249096
1-ethyl-2,3,5-trimethyl-3H-pyrazole
CID 86249110
1,3,5-trimethyl-2-propyl-3H-pyrazole
CID 86249112
2-butyl-1,3,5-trimethyl-3H-pyrazole
CID 89400345
2-ethyl-1,3,5-trimethyl-3H-pyrazole
CID 89400366
(5E)-4-[(E)-but-1-enyl]-3-methyl-5-(2-methylpropylidene)-4H-triazole
CID 91467666
3-tert-butyl-5-ethyl-1,2-dimethyl-3H-pyrazole
CID 123842943
1,1-dimethyl-2-[(E)-2-methylbut-2-enyl]-2-(3-methylbut-1-en-2-yl)hydrazine
CID 130243118

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).