4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole

C9H12Cl2N2O — CID 116804883

IUPAC4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole
SMILESCCCn1cc(OC/C(Cl)=C/Cl)cn1
InChIInChI=1S/C9H12Cl2N2O/c1-2-3-13-6-9(5-12-13)14-7-8(11)4-10/h4-6H,2-3,7H2,1H3/b8-4-
InChIKeyNQTWYPLDDSFPQH-YWEYNIOJSA-N
MW235.11 g/mol
LogP2.99
Rot. Bonds5

About 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole

4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole (PubChem CID 116804883) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole.

Molecular Properties

Compound Name4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole
PubChem CID116804883
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole
SMILESCCCn1cc(OC/C(Cl)=C/Cl)cn1
InChIInChI=1S/C9H12Cl2N2O/c1-2-3-13-6-9(5-12-13)14-7-8(11)4-10/h4-6H,2-3,7H2,1H3/b8-4-
InChIKeyNQTWYPLDDSFPQH-YWEYNIOJSA-N
XLogP2.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propoxy-1-propylpyrazole
CID 116805185
N-ethyl-N-methyl-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804991
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
(E)-4-(1-propylpyrazol-4-yl)oxybut-2-enoic acid
CID 116799960
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
ethyl 1-methyl-5-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole-4-carboxylate
CID 116800021
4-(5-chloro-3-methylpentoxy)-1-propylpyrazole
CID 116800930
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 103075179
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
CID 107881276

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole?
The IUPAC name of 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole (CID 116804883) is 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole.
What is the SMILES notation for 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole?
The canonical SMILES for 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole is CCCn1cc(OC/C(Cl)=C/Cl)cn1.
What is the InChIKey of 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole?
The InChIKey is NQTWYPLDDSFPQH-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-2-3-13-6-9(5-12-13)14-7-8(11)4-10/h4-6H,2-3,7H2,1H3/b8-4-.
What are the key properties of 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole?
4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole has a molecular weight of 235.11 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole is sourced from PubChem (CID 116804883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).