N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine

C18H17F2N3 — CID 71847986

IUPACN-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-c1cc(NCc2ccc(F)cc2F)n(C)n1
InChIInChI=1S/C18H17F2N3/c1-12-5-3-4-6-15(12)17-10-18(23(2)22-17)21-11-13-7-8-14(19)9-16(13)20/h3-10,21H,11H2,1-2H3
InChIKeyDNEFOIIJOVRIED-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.29
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine

N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine (PubChem CID 71847986) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine
PubChem CID71847986
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine
SMILESCc1ccccc1-c1cc(NCc2ccc(F)cc2F)n(C)n1
InChIInChI=1S/C18H17F2N3/c1-12-5-3-4-6-15(12)17-10-18(23(2)22-17)21-11-13-7-8-14(19)9-16(13)20/h3-10,21H,11H2,1-2H3
InChIKeyDNEFOIIJOVRIED-UHFFFAOYSA-N
XLogP4.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
N'-cyclopropyl-2-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
CID 2323945
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 2810697

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine (CID 71847986) is N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine is Cc1ccccc1-c1cc(NCc2ccc(F)cc2F)n(C)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine?
The InChIKey is DNEFOIIJOVRIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-12-5-3-4-6-15(12)17-10-18(23(2)22-17)21-11-13-7-8-14(19)9-16(13)20/h3-10,21H,11H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine?
N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine has a molecular weight of 313.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-methyl-3-(2-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 71847986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).