N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride

C11H12Cl2FN3 — CID 141415513

IUPACN-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride
SMILESCN(c1ccc(Cl)c(F)c1)c1cnn(C)c1.Cl
InChIInChI=1S/C11H11ClFN3.ClH/c1-15-7-9(6-14-15)16(2)8-3-4-10(12)11(13)5-8;/h3-7H,1-2H3;1H
InChIKeyNAXGPIRMTCHUJR-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.40
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride

N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 141415513) has the molecular formula C11H12Cl2FN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride
PubChem CID141415513
Molecular FormulaC11H12Cl2FN3
Molecular Weight276.14 g/mol
Exact Mass275.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride
SMILESCN(c1ccc(Cl)c(F)c1)c1cnn(C)c1.Cl
InChIInChI=1S/C11H11ClFN3.ClH/c1-15-7-9(6-14-15)16(2)8-3-4-10(12)11(13)5-8;/h3-7H,1-2H3;1H
InChIKeyNAXGPIRMTCHUJR-UHFFFAOYSA-N
XLogP3.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 63895357
5-[2-aminoethyl(methyl)amino]-2-[(4-chloro-3-fluorophenyl)methyl]pyridazin-3-one
CID 107894341
1-(4-chloro-3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 82994452
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
N,1-dimethyl-N-trimethylsilylpyrazol-4-amine
CID 140624297
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
4-chloro-3-fluoro-N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 59728081
4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133431106
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
N-(4-chloro-3-fluorophenyl)-2-(4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 58178818
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride (CID 141415513) is N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride is CN(c1ccc(Cl)c(F)c1)c1cnn(C)c1.Cl.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is NAXGPIRMTCHUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3.ClH/c1-15-7-9(6-14-15)16(2)8-3-4-10(12)11(13)5-8;/h3-7H,1-2H3;1H.
What are the key properties of N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride?
N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 276.14 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-N,1-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 141415513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).