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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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).