[1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine

C8H13ClF2N4 — CID 103027036

IUPAC[1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCn1cc(CCC(NN)C(F)(F)Cl)cn1
InChIInChI=1S/C8H13ClF2N4/c1-15-5-6(4-13-15)2-3-7(14-12)8(9,10)11/h4-5,7,14H,2-3,12H2,1H3
InChIKeyNDCIFWAHAWLQTK-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.02
Rot. Bonds5

About [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine

[1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine (PubChem CID 103027036) has the molecular formula C8H13ClF2N4 and a molecular weight of 238.67 g/mol. Its IUPAC name is [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
PubChem CID103027036
Molecular FormulaC8H13ClF2N4
Molecular Weight238.67 g/mol
Exact Mass238.08
IUPAC Name[1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
SMILESCn1cc(CCC(NN)C(F)(F)Cl)cn1
InChIInChI=1S/C8H13ClF2N4/c1-15-5-6(4-13-15)2-3-7(14-12)8(9,10)11/h4-5,7,14H,2-3,12H2,1H3
InChIKeyNDCIFWAHAWLQTK-UHFFFAOYSA-N
XLogP1.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
(Z)-2-[(3-iodo-1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine
CID 164719045
2-[(3-Iodo-1-methylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine
CID 165069681
N-[(Z)-2-fluoro-1-hydrazinylbut-1-enyl]-3-(1-methylpyrazol-4-yl)propan-1-imine
CID 173817807
(1S)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 28975172
(1R)-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 28975175
3,3,3-Trifluoro-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124237
2,2,3,3,3-Pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43248553
2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43485857
3,3,3-trifluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43485962
N-ethyl-2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492384
N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492488

Frequently Asked Questions

What is the IUPAC name of [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine (CID 103027036) is [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine is Cn1cc(CCC(NN)C(F)(F)Cl)cn1.
What is the InChIKey of [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
The InChIKey is NDCIFWAHAWLQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF2N4/c1-15-5-6(4-13-15)2-3-7(14-12)8(9,10)11/h4-5,7,14H,2-3,12H2,1H3.
What are the key properties of [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine?
[1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine has a molecular weight of 238.67 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 103027036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).