4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine

C14H17ClFN3 — CID 43334977

IUPAC4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)(C)Cc1[nH]nc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3/c1-14(2,3)7-10-12(13(17)19-18-10)11-8(15)5-4-6-9(11)16/h4-6H,7H2,1-3H3,(H3,17,18,19)
InChIKeyMANGYUPSSMHNCM-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.04
Rot. Bonds2

About 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine

4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine (PubChem CID 43334977) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine
PubChem CID43334977
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine
SMILESCC(C)(C)Cc1[nH]nc(N)c1-c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3/c1-14(2,3)7-10-12(13(17)19-18-10)11-8(15)5-4-6-9(11)16/h4-6H,7H2,1-3H3,(H3,17,18,19)
InChIKeyMANGYUPSSMHNCM-UHFFFAOYSA-N
XLogP4.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

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Related Compounds

4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921922
4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 43334983
4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
4-(2-chloro-6-fluorophenyl)-5-(3-methoxythiophen-2-yl)-1H-pyrazol-3-amine
CID 81122411
4-(2,6-dichlorophenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66206820
5-butan-2-yl-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 43157336
5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 103163941
4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol
CID 142528007
4-(2,6-dichlorophenyl)-5-pentan-3-yl-1H-pyrazol-3-amine
CID 43334843
4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
CID 114875056
3-(2-chloro-6-fluorophenyl)pyrazin-2-amine
CID 112559171
6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 23311127

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine (CID 43334977) is 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine is CC(C)(C)Cc1[nH]nc(N)c1-c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine?
The InChIKey is MANGYUPSSMHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-14(2,3)7-10-12(13(17)19-18-10)11-8(15)5-4-6-9(11)16/h4-6H,7H2,1-3H3,(H3,17,18,19).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine?
4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine has a molecular weight of 281.76 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 43334977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).