N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

C14H14F3N3O — CID 90851003

IUPACN-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
SMILESFC(F)(F)c1ccc(Nc2ccn[nH]2)c(OCC2CC2)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-3-4-11(19-13-5-6-18-20-13)12(7-10)21-8-9-1-2-9/h3-7,9H,1-2,8H2,(H2,18,19,20)
InChIKeyVARBZCQNBXPBHR-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.96
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine

N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 90851003) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
PubChem CID90851003
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
SMILESFC(F)(F)c1ccc(Nc2ccn[nH]2)c(OCC2CC2)c1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-3-4-11(19-13-5-6-18-20-13)12(7-10)21-8-9-1-2-9/h3-7,9H,1-2,8H2,(H2,18,19,20)
InChIKeyVARBZCQNBXPBHR-UHFFFAOYSA-N
XLogP3.96
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine (CID 90851003) is N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine is FC(F)(F)c1ccc(Nc2ccn[nH]2)c(OCC2CC2)c1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is VARBZCQNBXPBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)10-3-4-11(19-13-5-6-18-20-13)12(7-10)21-8-9-1-2-9/h3-7,9H,1-2,8H2,(H2,18,19,20).
What are the key properties of N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine?
N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 297.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 90851003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).