N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine

C13H13F2N3O — CID 91409419

IUPACN-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine
SMILESFc1ccc(Nc2ccn[nH]2)c(OCC2CC2)c1F
InChIInChI=1S/C13H13F2N3O/c14-9-3-4-10(17-11-5-6-16-18-11)13(12(9)15)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,16,17,18)
InChIKeyOFXIZIMWZPVNLT-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine

N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine (PubChem CID 91409419) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine
PubChem CID91409419
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine
SMILESFc1ccc(Nc2ccn[nH]2)c(OCC2CC2)c1F
InChIInChI=1S/C13H13F2N3O/c14-9-3-4-10(17-11-5-6-16-18-11)13(12(9)15)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,16,17,18)
InChIKeyOFXIZIMWZPVNLT-UHFFFAOYSA-N
XLogP3.22
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine (CID 91409419) is N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine is Fc1ccc(Nc2ccn[nH]2)c(OCC2CC2)c1F.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine?
The InChIKey is OFXIZIMWZPVNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-9-3-4-10(17-11-5-6-16-18-11)13(12(9)15)19-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,16,17,18).
What are the key properties of N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine?
N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine has a molecular weight of 265.26 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 91409419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).