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

C14H17F2N3 — CID 122168316

IUPACN-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cc(F)ccc2F)c(C)n1
InChIInChI=1S/C14H17F2N3/c1-3-6-19-9-14(10(2)18-19)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9,17H,3,6,8H2,1-2H3
InChIKeyDFRTVAFZTWDAGB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.49
Rot. Bonds5

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

N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine (PubChem CID 122168316) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
PubChem CID122168316
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1cc(NCc2cc(F)ccc2F)c(C)n1
InChIInChI=1S/C14H17F2N3/c1-3-6-19-9-14(10(2)18-19)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9,17H,3,6,8H2,1-2H3
InChIKeyDFRTVAFZTWDAGB-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine (CID 122168316) is N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine is CCCn1cc(NCc2cc(F)ccc2F)c(C)n1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is DFRTVAFZTWDAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-6-19-9-14(10(2)18-19)17-8-11-7-12(15)4-5-13(11)16/h4-5,7,9,17H,3,6,8H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine?
N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 122168316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).