(5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole

C8H12N2 — CID 167502334

IUPAC(5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole
SMILESC=c1cn[nH]/c1=C(/C)CC
InChIInChI=1S/C8H12N2/c1-4-6(2)8-7(3)5-9-10-8/h5,10H,3-4H2,1-2H3/b8-6-
InChIKeyFPSJWYFYDULSGK-VURMDHGXSA-N
MW136.20 g/mol
LogP0.40
Rot. Bonds1

About (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole

(5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole (PubChem CID 167502334) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole.

Molecular Properties

Compound Name(5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole
PubChem CID167502334
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole
SMILESC=c1cn[nH]/c1=C(/C)CC
InChIInChI=1S/C8H12N2/c1-4-6(2)8-7(3)5-9-10-8/h5,10H,3-4H2,1-2H3/b8-6-
InChIKeyFPSJWYFYDULSGK-VURMDHGXSA-N
XLogP0.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-but-1-en-2-yl-5-propan-2-yl-1H-pyrazole
CID 156744257
4-ethyl-5-prop-1-en-2-yl-1H-pyrazole
CID 138671207
potassium methyl-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]azanide
CID 176963239
1-(5-trimethylsilyl-1H-pyrazol-4-yl)propan-2-one
CID 175318803
5-methyl-4-prop-1-en-2-yl-1H-pyrazole
CID 70298570
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1H-pyrazole
CID 144598133
N-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]ethanimine
CID 165136855
(4E,5E)-5-[(Z)-pent-3-en-2-ylidene]-4-prop-2-enylidene-1H-pyrazole
CID 130459173
N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 121442678
1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
CID 83872450
(5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine
CID 90739459
(1E,5Z)-2-chloro-N-methyl-5-[(E)-(4-methylidene-1H-pyrazol-5-ylidene)methyl]-3-propan-2-ylidenehepta-1,5-dien-1-amine;ethane
CID 145192700

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole?
The IUPAC name of (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole (CID 167502334) is (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole.
What is the SMILES notation for (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole?
The canonical SMILES for (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole is C=c1cn[nH]/c1=C(/C)CC.
What is the InChIKey of (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole?
The InChIKey is FPSJWYFYDULSGK-VURMDHGXSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-6(2)8-7(3)5-9-10-8/h5,10H,3-4H2,1-2H3/b8-6-.
What are the key properties of (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole?
(5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole has a molecular weight of 136.20 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-butan-2-ylidene-4-methylidene-1H-pyrazole is sourced from PubChem (CID 167502334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).