(4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole

C11H16N2 — CID 172599905

IUPAC(4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole
SMILESC=C/C(CC(C)C)=c1/cn[nH]c1=C
InChIInChI=1S/C11H16N2/c1-5-10(6-8(2)3)11-7-12-13-9(11)4/h5,7-8,13H,1,4,6H2,2-3H3/b11-10+
InChIKeyYFPRWWCBMKXRFI-ZHACJKMWSA-N
MW176.26 g/mol
LogP1.20
Rot. Bonds3

About (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole

(4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole (PubChem CID 172599905) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole.

Molecular Properties

Compound Name(4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole
PubChem CID172599905
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole
SMILESC=C/C(CC(C)C)=c1/cn[nH]c1=C
InChIInChI=1S/C11H16N2/c1-5-10(6-8(2)3)11-7-12-13-9(11)4/h5,7-8,13H,1,4,6H2,2-3H3/b11-10+
InChIKeyYFPRWWCBMKXRFI-ZHACJKMWSA-N
XLogP1.20
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole?
The IUPAC name of (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole (CID 172599905) is (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole.
What is the SMILES notation for (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole?
The canonical SMILES for (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole is C=C/C(CC(C)C)=c1/cn[nH]c1=C.
What is the InChIKey of (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole?
The InChIKey is YFPRWWCBMKXRFI-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-10(6-8(2)3)11-7-12-13-9(11)4/h5,7-8,13H,1,4,6H2,2-3H3/b11-10+.
What are the key properties of (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole?
(4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole has a molecular weight of 176.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(5-methylhex-1-en-3-ylidene)-5-methylidene-1H-pyrazole is sourced from PubChem (CID 172599905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).