N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide

C8H12F2N4O — CID 107493180

IUPACN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNCCN(CC(F)F)C(=O)c1ccn[nH]1
InChIInChI=1S/C8H12F2N4O/c9-7(10)5-14(4-2-11)8(15)6-1-3-12-13-6/h1,3,7H,2,4-5,11H2,(H,12,13)
InChIKeyKQKBWZKQXBPIHM-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.08
Rot. Bonds5

About N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 107493180) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID107493180
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC NameN-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide
SMILESNCCN(CC(F)F)C(=O)c1ccn[nH]1
InChIInChI=1S/C8H12F2N4O/c9-7(10)5-14(4-2-11)8(15)6-1-3-12-13-6/h1,3,7H,2,4-5,11H2,(H,12,13)
InChIKeyKQKBWZKQXBPIHM-UHFFFAOYSA-N
XLogP0.08
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide (CID 107493180) is N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide is NCCN(CC(F)F)C(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KQKBWZKQXBPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O/c9-7(10)5-14(4-2-11)8(15)6-1-3-12-13-6/h1,3,7H,2,4-5,11H2,(H,12,13).
What are the key properties of N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide?
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 107493180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).