1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine

C13H15F2N3O — CID 25247605

IUPAC1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(CC(F)F)c2)cc1
InChIInChI=1S/C13H15F2N3O/c1-19-12-4-2-10(3-5-12)6-16-11-7-17-18(8-11)9-13(14)15/h2-5,7-8,13,16H,6,9H2,1H3
InChIKeyHMFZZHAQSNPPBT-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.77
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine

1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 25247605) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine
PubChem CID25247605
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine
SMILESCOc1ccc(CNc2cnn(CC(F)F)c2)cc1
InChIInChI=1S/C13H15F2N3O/c1-19-12-4-2-10(3-5-12)6-16-11-7-17-18(8-11)9-13(14)15/h2-5,7-8,13,16H,6,9H2,1H3
InChIKeyHMFZZHAQSNPPBT-UHFFFAOYSA-N
XLogP2.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine (CID 25247605) is 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine is COc1ccc(CNc2cnn(CC(F)F)c2)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is HMFZZHAQSNPPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-19-12-4-2-10(3-5-12)6-16-11-7-17-18(8-11)9-13(14)15/h2-5,7-8,13,16H,6,9H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine?
1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 267.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(4-methoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 25247605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).