5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine

C14H18F2N4O — CID 66027035

IUPAC5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N4O/c1-3-8-20-13(12(17)9(2)19-20)18-10-4-6-11(7-5-10)21-14(15)16/h4-7,14,18H,3,8,17H2,1-2H3
InChIKeyKZAQRTZISQJAOD-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.53
Rot. Bonds6

About 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine

5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 66027035) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID66027035
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N4O/c1-3-8-20-13(12(17)9(2)19-20)18-10-4-6-11(7-5-10)21-14(15)16/h4-7,14,18H,3,8,17H2,1-2H3
InChIKeyKZAQRTZISQJAOD-UHFFFAOYSA-N
XLogP3.53
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine (CID 66027035) is 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is KZAQRTZISQJAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-3-8-20-13(12(17)9(2)19-20)18-10-4-6-11(7-5-10)21-14(15)16/h4-7,14,18H,3,8,17H2,1-2H3.
What are the key properties of 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 296.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66027035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).