[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine

C9H15ClF2N4 — CID 105264979

IUPAC[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)C(F)F
InChIInChI=1S/C9H15ClF2N4/c1-3-16-7(8(10)5(2)15-16)4-6(14-13)9(11)12/h6,9,14H,3-4,13H2,1-2H3
InChIKeyIZGGYLWKWYMOHJ-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.50
Rot. Bonds5

About [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine

[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine (PubChem CID 105264979) has the molecular formula C9H15ClF2N4 and a molecular weight of 252.70 g/mol. Its IUPAC name is [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
PubChem CID105264979
Molecular FormulaC9H15ClF2N4
Molecular Weight252.70 g/mol
Exact Mass252.10
IUPAC Name[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)C(F)F
InChIInChI=1S/C9H15ClF2N4/c1-3-16-7(8(10)5(2)15-16)4-6(14-13)9(11)12/h6,9,14H,3-4,13H2,1-2H3
InChIKeyIZGGYLWKWYMOHJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213762
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1-dimethoxypropan-2-amine
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[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196368
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine
CID 105209898
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151695
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 104998740
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
CID 105316992
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228301
4-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 81015787
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-4-methylsulfanylbutan-2-amine
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Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine?
The IUPAC name of [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine (CID 105264979) is [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine.
What is the SMILES notation for [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine?
The canonical SMILES for [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine is CCn1nc(C)c(Cl)c1CC(NN)C(F)F.
What is the InChIKey of [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine?
The InChIKey is IZGGYLWKWYMOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF2N4/c1-3-16-7(8(10)5(2)15-16)4-6(14-13)9(11)12/h6,9,14H,3-4,13H2,1-2H3.
What are the key properties of [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine?
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine has a molecular weight of 252.70 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine is sourced from PubChem (CID 105264979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).