4-cyclopropyl-5-propan-2-yl-1H-pyrazole

C9H14N2 — CID 130325431

IUPAC4-cyclopropyl-5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1[nH]ncc1C1CC1
InChIInChI=1S/C9H14N2/c1-6(2)9-8(5-10-11-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyDPIQZGLEWXIAPR-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.41
Rot. Bonds2

About 4-cyclopropyl-5-propan-2-yl-1H-pyrazole

4-cyclopropyl-5-propan-2-yl-1H-pyrazole (PubChem CID 130325431) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-cyclopropyl-5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-cyclopropyl-5-propan-2-yl-1H-pyrazole
PubChem CID130325431
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-cyclopropyl-5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1[nH]ncc1C1CC1
InChIInChI=1S/C9H14N2/c1-6(2)9-8(5-10-11-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyDPIQZGLEWXIAPR-UHFFFAOYSA-N
XLogP2.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-propan-2-yl-1H-pyrazole?
The IUPAC name of 4-cyclopropyl-5-propan-2-yl-1H-pyrazole (CID 130325431) is 4-cyclopropyl-5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 4-cyclopropyl-5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 4-cyclopropyl-5-propan-2-yl-1H-pyrazole is CC(C)c1[nH]ncc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-propan-2-yl-1H-pyrazole?
The InChIKey is DPIQZGLEWXIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)9-8(5-10-11-9)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 4-cyclopropyl-5-propan-2-yl-1H-pyrazole?
4-cyclopropyl-5-propan-2-yl-1H-pyrazole has a molecular weight of 150.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 130325431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).