N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide

C10H16F2N4O2 — CID 114255223

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)N(CCN)CC(F)F)nn1C
InChIInChI=1S/C10H16F2N4O2/c1-15-9(18-2)5-7(14-15)10(17)16(4-3-13)6-8(11)12/h5,8H,3-4,6,13H2,1-2H3
InChIKeyHCCFCCYYFNGKNR-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.09
Rot. Bonds6

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 114255223) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID114255223
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)N(CCN)CC(F)F)nn1C
InChIInChI=1S/C10H16F2N4O2/c1-15-9(18-2)5-7(14-15)10(17)16(4-3-13)6-8(11)12/h5,8H,3-4,6,13H2,1-2H3
InChIKeyHCCFCCYYFNGKNR-UHFFFAOYSA-N
XLogP0.09
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide (CID 114255223) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide is COc1cc(C(=O)N(CCN)CC(F)F)nn1C.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is HCCFCCYYFNGKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-15-9(18-2)5-7(14-15)10(17)16(4-3-13)6-8(11)12/h5,8H,3-4,6,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114255223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).