1,3,5-trimethyl-4-propan-2-ylpyrazole

C9H16N2 — CID 20605572

IUPAC1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCc1nn(C)c(C)c1C(C)C
InChIInChI=1S/C9H16N2/c1-6(2)9-7(3)10-11(5)8(9)4/h6H,1-5H3
InChIKeyQQZFCIYFVUZPRC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.16
Rot. Bonds1

About 1,3,5-trimethyl-4-propan-2-ylpyrazole

1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 20605572) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID20605572
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCc1nn(C)c(C)c1C(C)C
InChIInChI=1S/C9H16N2/c1-6(2)9-7(3)10-11(5)8(9)4/h6H,1-5H3
InChIKeyQQZFCIYFVUZPRC-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Iodo-1,3,5-trimethyl-1H-pyrazole
CID 616702
4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CID 12299300
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole
CID 85801900
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
Sbb010340
CID 6492580
2-(trimethyl-1H-pyrazol-4-yl)acetonitrile
CID 13792877
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
1,4-Dimethyl-3,5-di-t-butylpyrazole
CID 145636

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 20605572) is 1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-propan-2-ylpyrazole is Cc1nn(C)c(C)c1C(C)C.
What is the InChIKey of 1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is QQZFCIYFVUZPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)9-7(3)10-11(5)8(9)4/h6H,1-5H3.
What are the key properties of 1,3,5-trimethyl-4-propan-2-ylpyrazole?
1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 20605572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).