1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole

C11H18N2 — CID 164726492

IUPAC1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole
SMILESCC(C)C1C(C)C1c1ccn(C)n1
InChIInChI=1S/C11H18N2/c1-7(2)10-8(3)11(10)9-5-6-13(4)12-9/h5-8,10-11H,1-4H3
InChIKeyPCEQHMQVZZMRDU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.43
Rot. Bonds2

About 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole

1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole (PubChem CID 164726492) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole
PubChem CID164726492
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole
SMILESCC(C)C1C(C)C1c1ccn(C)n1
InChIInChI=1S/C11H18N2/c1-7(2)10-8(3)11(10)9-5-6-13(4)12-9/h5-8,10-11H,1-4H3
InChIKeyPCEQHMQVZZMRDU-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole?
The IUPAC name of 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole (CID 164726492) is 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole?
The canonical SMILES for 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole is CC(C)C1C(C)C1c1ccn(C)n1.
What is the InChIKey of 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole?
The InChIKey is PCEQHMQVZZMRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7(2)10-8(3)11(10)9-5-6-13(4)12-9/h5-8,10-11H,1-4H3.
What are the key properties of 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole?
1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-3-propan-2-ylcyclopropyl)pyrazole is sourced from PubChem (CID 164726492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).