N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine

C17H16F2N4O — CID 71846209

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine
SMILESCn1nc(-c2ccncc2)cc1NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F2N4O/c1-23-16(10-15(22-23)13-6-8-20-9-7-13)21-11-12-2-4-14(5-3-12)24-17(18)19/h2-10,17,21H,11H2,1H3
InChIKeyQMDINSBFZHSDFQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.70
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine (PubChem CID 71846209) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine
PubChem CID71846209
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine
SMILESCn1nc(-c2ccncc2)cc1NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F2N4O/c1-23-16(10-15(22-23)13-6-8-20-9-7-13)21-11-12-2-4-14(5-3-12)24-17(18)19/h2-10,17,21H,11H2,1H3
InChIKeyQMDINSBFZHSDFQ-UHFFFAOYSA-N
XLogP3.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11560696
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 24948938
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
CID 4313559
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
5-(4-Methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70694813
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
Pyrazolo[1,5-a]-1,3,5-triazine, 13-13
CID 42618219
(9) 1H-1,2,4-triazol-3-yl-anilines 3-F3CO(C6H4) 4-Pyridine
CID 57339840
(10) 1H-1,2,4-triazol-3-yl-anilines 4-F3CO(C6H4) 4-Pyridine
CID 57339841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine (CID 71846209) is N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine is Cn1nc(-c2ccncc2)cc1NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine?
The InChIKey is QMDINSBFZHSDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-23-16(10-15(22-23)13-6-8-20-9-7-13)21-11-12-2-4-14(5-3-12)24-17(18)19/h2-10,17,21H,11H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine has a molecular weight of 330.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-3-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 71846209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).