1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine

C12H14F2N4O — CID 100611322

IUPAC1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine
SMILESCOc1cccc(CNc2ccn(CC(F)F)n2)n1
InChIInChI=1S/C12H14F2N4O/c1-19-12-4-2-3-9(16-12)7-15-11-5-6-18(17-11)8-10(13)14/h2-6,10H,7-8H2,1H3,(H,15,17)
InChIKeyFVZHKRKTCIEUKS-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.16
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine

1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine (PubChem CID 100611322) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine
PubChem CID100611322
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine
SMILESCOc1cccc(CNc2ccn(CC(F)F)n2)n1
InChIInChI=1S/C12H14F2N4O/c1-19-12-4-2-3-9(16-12)7-15-11-5-6-18(17-11)8-10(13)14/h2-6,10H,7-8H2,1H3,(H,15,17)
InChIKeyFVZHKRKTCIEUKS-UHFFFAOYSA-N
XLogP2.16
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
CID 63984877
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63985866
2,6-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63986273
1-(2-methoxyethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-amine
CID 103347582
2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107633456
4-bromo-2,5-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107610030
2-imidazol-1-yl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103347464
1-(2,2-difluoroethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
CID 99620993
N-[(6-methoxy-2-pyridinyl)methyl]-1-methylpyrazol-4-amine
CID 79769857
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine (CID 100611322) is 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine is COc1cccc(CNc2ccn(CC(F)F)n2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine?
The InChIKey is FVZHKRKTCIEUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-19-12-4-2-3-9(16-12)7-15-11-5-6-18(17-11)8-10(13)14/h2-6,10H,7-8H2,1H3,(H,15,17).
What are the key properties of 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine?
1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine has a molecular weight of 268.27 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 100611322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).