5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole

C10H16N2 — CID 13353372

IUPAC5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole
SMILESC/C=C/c1c(C(C)C)n[nH]c1C
InChIInChI=1S/C10H16N2/c1-5-6-9-8(4)11-12-10(9)7(2)3/h5-7H,1-4H3,(H,11,12)/b6-5+
InChIKeyBCRSPDVDDLTZGC-AATRIKPKSA-N
MW164.25 g/mol
LogP2.87
Rot. Bonds2

About 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole

5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole (PubChem CID 13353372) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole
PubChem CID13353372
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole
SMILESC/C=C/c1c(C(C)C)n[nH]c1C
InChIInChI=1S/C10H16N2/c1-5-6-9-8(4)11-12-10(9)7(2)3/h5-7H,1-4H3,(H,11,12)/b6-5+
InChIKeyBCRSPDVDDLTZGC-AATRIKPKSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole?
The IUPAC name of 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole (CID 13353372) is 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole?
The canonical SMILES for 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole is C/C=C/c1c(C(C)C)n[nH]c1C.
What is the InChIKey of 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole?
The InChIKey is BCRSPDVDDLTZGC-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-9-8(4)11-12-10(9)7(2)3/h5-7H,1-4H3,(H,11,12)/b6-5+.
What are the key properties of 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole?
5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-4-[(E)-prop-1-enyl]-1H-pyrazole is sourced from PubChem (CID 13353372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).