N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride

C12H15ClFN3 — CID 126968207

IUPACN-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2cccc(F)c2)n(C)n1.Cl
InChIInChI=1S/C12H14FN3.ClH/c1-9-6-12(16(2)15-9)14-8-10-4-3-5-11(13)7-10;/h3-7,14H,8H2,1-2H3;1H
InChIKeySYPNYWHJXRKZPW-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.90
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride

N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride (PubChem CID 126968207) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
PubChem CID126968207
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC NameN-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
SMILESCc1cc(NCc2cccc(F)c2)n(C)n1.Cl
InChIInChI=1S/C12H14FN3.ClH/c1-9-6-12(16(2)15-9)14-8-10-4-3-5-11(13)7-10;/h3-7,14H,8H2,1-2H3;1H
InChIKeySYPNYWHJXRKZPW-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126967917
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968043
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126966938
N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441056
2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122166456
2,5-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126965380
N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103569108
2-[5-[(3-fluorophenyl)methylamino]-3,4-dimethylpyrazol-1-yl]ethanol
CID 71844344
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride (CID 126968207) is N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride is Cc1cc(NCc2cccc(F)c2)n(C)n1.Cl.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
The InChIKey is SYPNYWHJXRKZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3.ClH/c1-9-6-12(16(2)15-9)14-8-10-4-3-5-11(13)7-10;/h3-7,14H,8H2,1-2H3;1H.
What are the key properties of N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride?
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride has a molecular weight of 255.72 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126968207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).