3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole

C14H16N2 — CID 143867977

IUPAC3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
SMILESC/C=C\c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C14H16N2/c1-4-8-14-11(2)15-16(12(14)3)13-9-6-5-7-10-13/h4-10H,1-3H3/b8-4-
InChIKeyOMCUNVTUPSLQIJ-YWEYNIOJSA-N
MW212.30 g/mol
LogP3.52
Rot. Bonds2

About 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole

3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole (PubChem CID 143867977) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
PubChem CID143867977
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
SMILESC/C=C\c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C14H16N2/c1-4-8-14-11(2)15-16(12(14)3)13-9-6-5-7-10-13/h4-10H,1-3H3/b8-4-
InChIKeyOMCUNVTUPSLQIJ-YWEYNIOJSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 169454458
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 75266589
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]propanedinitrile
CID 3771083
(E,2Z)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxyiminobut-3-enoic acid
CID 10541113
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 19555048
4-[(Z)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-3-methyl-5-nitro-1,2-oxazole
CID 26748369
4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-3-methyl-5-nitro-1,2-oxazole
CID 5344948
(E,2Z)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(phenylhydrazinylidene)but-3-enoic acid
CID 10808475
3-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoylamino]propanoic acid
CID 127265525
2-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-5-methyl-1,3-benzothiazole
CID 18224629
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9489262

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole (CID 143867977) is 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole is C/C=C\c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole?
The InChIKey is OMCUNVTUPSLQIJ-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H16N2/c1-4-8-14-11(2)15-16(12(14)3)13-9-6-5-7-10-13/h4-10H,1-3H3/b8-4-.
What are the key properties of 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole?
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole has a molecular weight of 212.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole is sourced from PubChem (CID 143867977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).