N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine

C13H14F3N3 — CID 122168273

IUPACN-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
SMILESCc1nn(CCF)cc1NCc1cccc(F)c1F
InChIInChI=1S/C13H14F3N3/c1-9-12(8-19(18-9)6-5-14)17-7-10-3-2-4-11(15)13(10)16/h2-4,8,17H,5-7H2,1H3
InChIKeyVHENSEDLQOHCME-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.05
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine

N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine (PubChem CID 122168273) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
PubChem CID122168273
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
SMILESCc1nn(CCF)cc1NCc1cccc(F)c1F
InChIInChI=1S/C13H14F3N3/c1-9-12(8-19(18-9)6-5-14)17-7-10-3-2-4-11(15)13(10)16/h2-4,8,17H,5-7H2,1H3
InChIKeyVHENSEDLQOHCME-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122168316
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluoro-3-methylaniline
CID 113351725
N-butyl-1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 122168973
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
CID 122168272
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]methanamine
CID 122168274
4-[(2,3-difluorophenyl)methylamino]-1-methylpyrazole-3-carboxylic acid
CID 19624785
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968043
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine (CID 122168273) is N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine is Cc1nn(CCF)cc1NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine?
The InChIKey is VHENSEDLQOHCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-9-12(8-19(18-9)6-5-14)17-7-10-3-2-4-11(15)13(10)16/h2-4,8,17H,5-7H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine?
N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine has a molecular weight of 269.27 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-(2-fluoroethyl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 122168273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).