N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C9H13F3N4O — CID 107493520

IUPACN-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(CCN)CC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O/c1-15-5-7(4-14-15)8(17)16(3-2-13)6-9(10,11)12/h4-5H,2-3,6,13H2,1H3
InChIKeySAVFQKLDTZPLDA-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.38
Rot. Bonds4

About N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 107493520) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID107493520
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC NameN-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(CCN)CC(F)(F)F)cn1
InChIInChI=1S/C9H13F3N4O/c1-15-5-7(4-14-15)8(17)16(3-2-13)6-9(10,11)12/h4-5H,2-3,6,13H2,1H3
InChIKeySAVFQKLDTZPLDA-UHFFFAOYSA-N
XLogP0.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 63755874
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CID 80661307
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
CID 167894254
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)quinoxaline-6-carboxamide
CID 107493646
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
N-(2-aminoethyl)-3-propoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493616
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
2,2-difluoro-1-(1-methylpyrazol-4-yl)propan-1-one
CID 127017336
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
N,1-dimethyl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648257
2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115290162

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 107493520) is N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)N(CCN)CC(F)(F)F)cn1.
What is the InChIKey of N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is SAVFQKLDTZPLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-15-5-7(4-14-15)8(17)16(3-2-13)6-9(10,11)12/h4-5H,2-3,6,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 107493520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).