4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C9H13F3N4O2 — CID 55033851

IUPAC4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(CCO)CC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O2/c1-5-6(13)7(15-14-5)8(18)16(2-3-17)4-9(10,11)12/h17H,2-4,13H2,1H3,(H,14,15)
InChIKeyUMNNVCRJNIXYQY-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.30
Rot. Bonds4

About 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 55033851) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID55033851
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(CCO)CC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O2/c1-5-6(13)7(15-14-5)8(18)16(2-3-17)4-9(10,11)12/h17H,2-4,13H2,1H3,(H,14,15)
InChIKeyUMNNVCRJNIXYQY-UHFFFAOYSA-N
XLogP0.30
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole-3-carboxamide, 4-amino-5-methyl-N-(3-methylbutyl)-
CID 3061962
4-[(dipropylamino)diazenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 282821
N-(2-hydroxyethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508152
4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 68889748
4-acetamido-N-(4-fluorocyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 70809846
4-(dimethylaminodiazenyl)-N,N,5-trimethyl-1H-pyrazole-3-carboxamide
CID 279937
N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877509
4-amino-N-ethyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 55033874
4-amino-N,5-diethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 55033908
4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 55034306
4-amino-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 55034381
4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 55174743

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 55033851) is 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(CCO)CC(F)(F)F)c1N.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is UMNNVCRJNIXYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-5-6(13)7(15-14-5)8(18)16(2-3-17)4-9(10,11)12/h17H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55033851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).