4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine

C14H17ClFN3 — CID 55143798

IUPAC4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1nn(C)c(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFN3/c1-8(2)6-12-13(14(17)19(3)18-12)10-5-4-9(16)7-11(10)15/h4-5,7-8H,6,17H2,1-3H3
InChIKeyRBBQUPKCRKKASB-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.66
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine

4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine (PubChem CID 55143798) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
PubChem CID55143798
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1nn(C)c(N)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C14H17ClFN3/c1-8(2)6-12-13(14(17)19(3)18-12)10-5-4-9(16)7-11(10)15/h4-5,7-8H,6,17H2,1-3H3
InChIKeyRBBQUPKCRKKASB-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 43336246
4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921984
3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 107962720
4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine
CID 43336534
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(2-fluorophenyl)-1-methyl-3-(2-methylbutyl)pyrazol-5-amine
CID 114875030
4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
CID 66880474
3-(3-chlorothiophen-2-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 80644808
4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158669
5-[bromo-(2,4-difluorophenyl)methyl]-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole
CID 66765584
3-(2-chlorofuran-3-yl)-4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 106687623
3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 107988602

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine (CID 55143798) is 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine is CC(C)Cc1nn(C)c(N)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is RBBQUPKCRKKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-8(2)6-12-13(14(17)19(3)18-12)10-5-4-9(16)7-11(10)15/h4-5,7-8H,6,17H2,1-3H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine?
4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 281.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 55143798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).