N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine

C14H17F2N3 — CID 122168310

IUPACN-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H17F2N3/c1-9(2)19-8-14(10(3)18-19)17-7-11-4-12(15)6-13(16)5-11/h4-6,8-9,17H,7H2,1-3H3
InChIKeyMFHVGFVLIJVGSX-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.66
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine

N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 122168310) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID122168310
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C14H17F2N3/c1-9(2)19-8-14(10(3)18-19)17-7-11-4-12(15)6-13(16)5-11/h4-6,8-9,17H,7H2,1-3H3
InChIKeyMFHVGFVLIJVGSX-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 122168310) is N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)cc1NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is MFHVGFVLIJVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-9(2)19-8-14(10(3)18-19)17-7-11-4-12(15)6-13(16)5-11/h4-6,8-9,17H,7H2,1-3H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine?
N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 122168310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).