4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine

C14H17ClFN3 — CID 114875056

IUPAC4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
SMILESCCC(C)Cc1[nH]nc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C14H17ClFN3/c1-3-8(2)7-11-12(14(17)19-18-11)9-5-4-6-10(15)13(9)16/h4-6,8H,3,7H2,1-2H3,(H3,17,18,19)
InChIKeyFWBJTASASDFTLL-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.04
Rot. Bonds4

About 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine

4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine (PubChem CID 114875056) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
PubChem CID114875056
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
SMILESCCC(C)Cc1[nH]nc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C14H17ClFN3/c1-3-8(2)7-11-12(14(17)19-18-11)9-5-4-6-10(15)13(9)16/h4-6,8H,3,7H2,1-2H3,(H3,17,18,19)
InChIKeyFWBJTASASDFTLL-UHFFFAOYSA-N
XLogP4.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine 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

5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 81266292
4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine
CID 82803460
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118931
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 43157336
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine
CID 43334843
5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 82802663
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 82802446

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine (CID 114875056) is 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine is CCC(C)Cc1[nH]nc(N)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine?
The InChIKey is FWBJTASASDFTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-3-8(2)7-11-12(14(17)19-18-11)9-5-4-6-10(15)13(9)16/h4-6,8H,3,7H2,1-2H3,(H3,17,18,19).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine has a molecular weight of 281.76 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114875056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).