1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole

C12H20N2 — CID 155261599

IUPAC1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
SMILESCCC(C)(C)c1cnn(CC2CC2)c1
InChIInChI=1S/C12H20N2/c1-4-12(2,3)11-7-13-14(9-11)8-10-5-6-10/h7,9-10H,4-6,8H2,1-3H3
InChIKeyJDGIJEZSAOVRDD-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.98
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole

1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole (PubChem CID 155261599) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
PubChem CID155261599
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole
SMILESCCC(C)(C)c1cnn(CC2CC2)c1
InChIInChI=1S/C12H20N2/c1-4-12(2,3)11-7-13-14(9-11)8-10-5-6-10/h7,9-10H,4-6,8H2,1-3H3
InChIKeyJDGIJEZSAOVRDD-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole (CID 155261599) is 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole is CCC(C)(C)c1cnn(CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole?
The InChIKey is JDGIJEZSAOVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-12(2,3)11-7-13-14(9-11)8-10-5-6-10/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole?
1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole has a molecular weight of 192.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(2-methylbutan-2-yl)pyrazole is sourced from PubChem (CID 155261599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).