1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole

C9H13ClN2 — CID 106440153

IUPAC1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole
SMILESC/C(=C/Cl)Cn1nc(C)cc1C
InChIInChI=1S/C9H13ClN2/c1-7(5-10)6-12-9(3)4-8(2)11-12/h4-5H,6H2,1-3H3/b7-5-
InChIKeyNUAZWJWRWUCJGJ-ALCCZGGFSA-N
MW184.67 g/mol
LogP2.64
Rot. Bonds2

About 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole

1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole (PubChem CID 106440153) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole
PubChem CID106440153
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole
SMILESC/C(=C/Cl)Cn1nc(C)cc1C
InChIInChI=1S/C9H13ClN2/c1-7(5-10)6-12-9(3)4-8(2)11-12/h4-5H,6H2,1-3H3/b7-5-
InChIKeyNUAZWJWRWUCJGJ-ALCCZGGFSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-4-(3,5-dimethylpyrazol-1-yl)but-2-enyl]-3,5-dimethylpyrazole
CID 2055740
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
CID 86240753
3,5-dimethyl-1-prop-2-enylpyrazole
CID 25930
1-(3,5-dimethylpyrazol-1-yl)-4-iminopentan-2-one
CID 91284386
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
methyl (E)-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]but-2-enoate
CID 118667802
1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole
CID 106440202
3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine
CID 122404054
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole (CID 106440153) is 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole is C/C(=C/Cl)Cn1nc(C)cc1C.
What is the InChIKey of 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole?
The InChIKey is NUAZWJWRWUCJGJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-7(5-10)6-12-9(3)4-8(2)11-12/h4-5H,6H2,1-3H3/b7-5-.
What are the key properties of 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole?
1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole has a molecular weight of 184.67 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 106440153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).