4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole

C11H13N3 — CID 126661219

IUPAC4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole
SMILESC/C=c1/cc[nH]/c1=C/c1cnn(C)c1
InChIInChI=1S/C11H13N3/c1-3-10-4-5-12-11(10)6-9-7-13-14(2)8-9/h3-8,12H,1-2H3/b10-3-,11-6+
InChIKeyZNLFQHYZPOILGC-KAGHAQNVSA-N
MW187.25 g/mol
LogP0.38
Rot. Bonds1

About 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole

4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole (PubChem CID 126661219) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole
PubChem CID126661219
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole
SMILESC/C=c1/cc[nH]/c1=C/c1cnn(C)c1
InChIInChI=1S/C11H13N3/c1-3-10-4-5-12-11(10)6-9-7-13-14(2)8-9/h3-8,12H,1-2H3/b10-3-,11-6+
InChIKeyZNLFQHYZPOILGC-KAGHAQNVSA-N
XLogP0.38
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-((1E)-3-chloroprop-1-en-1-yl)-1-methyl-1H-pyrazole
CID 121514065
(1E,3E)-4-fluoro-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951926
7-Ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 126763540
1-(2,2-difluoroethyl)-4-[(E)-prop-1-enyl]pyrazole
CID 132036005
(2E,4E)-4,6-difluoro-5-(1-methylpyrazol-4-yl)hepta-2,4,6-trien-3-amine
CID 145105885
3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335254
5-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335261
4-[(2E,4Z,6Z)-6,7-difluorohepta-2,4,6-trien-2-yl]-1-methylpyrazole
CID 156099693
(Z)-1-[1-(2,2-difluoroethyl)pyrazol-4-yl]but-1-en-1-amine
CID 177316698
4-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrazole
CID 145324663
1-(3-fluoro-1-methylpyrazol-4-yl)-N,2-dimethylprop-1-en-1-amine
CID 177039474
4-Methyl-1-(2-methylbenzene-5-id-1-yl)pyrazole;yttrium
CID 57678902

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole?
The IUPAC name of 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole (CID 126661219) is 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole is C/C=c1/cc[nH]/c1=C/c1cnn(C)c1.
What is the InChIKey of 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole?
The InChIKey is ZNLFQHYZPOILGC-KAGHAQNVSA-N. The full InChI is InChI=1S/C11H13N3/c1-3-10-4-5-12-11(10)6-9-7-13-14(2)8-9/h3-8,12H,1-2H3/b10-3-,11-6+.
What are the key properties of 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole?
4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole has a molecular weight of 187.25 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3Z)-3-ethylidene-1H-pyrrol-2-ylidene]methyl]-1-methylpyrazole is sourced from PubChem (CID 126661219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).