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

C17H13F5N4 — CID 71086623

IUPACN-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccc(F)cc2F)nc1
InChIInChI=1S/C17H13F5N4/c1-26-14(7-15(25-26)17(20,21)22)11-3-5-16(24-9-11)23-8-10-2-4-12(18)6-13(10)19/h2-7,9H,8H2,1H3,(H,23,24)
InChIKeyDTQCPVMYKXVJRV-UHFFFAOYSA-N
MW368.31 g/mol
LogP4.39
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine (PubChem CID 71086623) has the molecular formula C17H13F5N4 and a molecular weight of 368.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
PubChem CID71086623
Molecular FormulaC17H13F5N4
Molecular Weight368.31 g/mol
Exact Mass368.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccc(F)cc2F)nc1
InChIInChI=1S/C17H13F5N4/c1-26-14(7-15(25-26)17(20,21)22)11-3-5-16(24-9-11)23-8-10-2-4-12(18)6-13(10)19/h2-7,9H,8H2,1H3,(H,23,24)
InChIKeyDTQCPVMYKXVJRV-UHFFFAOYSA-N
XLogP4.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Decoglurant
CID 71533696
AZ-960
CID 25099184
(S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
CID 53232451
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Arylpyrazole, 31
CID 44143431
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 24949398
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine (CID 71086623) is N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine is Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccc(F)cc2F)nc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine?
The InChIKey is DTQCPVMYKXVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N4/c1-26-14(7-15(25-26)17(20,21)22)11-3-5-16(24-9-11)23-8-10-2-4-12(18)6-13(10)19/h2-7,9H,8H2,1H3,(H,23,24).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine?
N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine has a molecular weight of 368.31 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 71086623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).