N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine

C15H19F2N5O — CID 175627694

IUPACN-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine
SMILESC/C=C\c1ncc(Nc2cc(COC(F)F)[nH]n2)nc1CCC
InChIInChI=1S/C15H19F2N5O/c1-3-5-11-12(6-4-2)19-14(8-18-11)20-13-7-10(21-22-13)9-23-15(16)17/h3,5,7-8,15H,4,6,9H2,1-2H3,(H2,19,20,21,22)/b5-3-
InChIKeyFFKAXTDCQOYLDY-HYXAFXHYSA-N
MW323.35 g/mol
LogP3.67
Rot. Bonds8

About N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine

N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine (PubChem CID 175627694) has the molecular formula C15H19F2N5O and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine.

Molecular Properties

Compound NameN-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine
PubChem CID175627694
Molecular FormulaC15H19F2N5O
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC NameN-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine
SMILESC/C=C\c1ncc(Nc2cc(COC(F)F)[nH]n2)nc1CCC
InChIInChI=1S/C15H19F2N5O/c1-3-5-11-12(6-4-2)19-14(8-18-11)20-13-7-10(21-22-13)9-23-15(16)17/h3,5,7-8,15H,4,6,9H2,1-2H3,(H2,19,20,21,22)/b5-3-
InChIKeyFFKAXTDCQOYLDY-HYXAFXHYSA-N
XLogP3.67
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine?
The IUPAC name of N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine (CID 175627694) is N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine.
What is the SMILES notation for N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine?
The canonical SMILES for N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine is C/C=C\c1ncc(Nc2cc(COC(F)F)[nH]n2)nc1CCC.
What is the InChIKey of N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine?
The InChIKey is FFKAXTDCQOYLDY-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H19F2N5O/c1-3-5-11-12(6-4-2)19-14(8-18-11)20-13-7-10(21-22-13)9-23-15(16)17/h3,5,7-8,15H,4,6,9H2,1-2H3,(H2,19,20,21,22)/b5-3-.
What are the key properties of N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine?
N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine has a molecular weight of 323.35 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethoxymethyl)-1H-pyrazol-3-yl]-5-[(Z)-prop-1-enyl]-6-propylpyrazin-2-amine is sourced from PubChem (CID 175627694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).