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

C11H17F3N4O2 — CID 62075419

IUPAC4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(CCO)CC(F)(F)F)c1N
InChIInChI=1S/C11H17F3N4O2/c1-6(2)8-7(15)9(17-16-8)10(20)18(3-4-19)5-11(12,13)14/h6,19H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyPJGFHVUFNBXPOM-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.11
Rot. Bonds5

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

4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62075419) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62075419
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(CCO)CC(F)(F)F)c1N
InChIInChI=1S/C11H17F3N4O2/c1-6(2)8-7(15)9(17-16-8)10(20)18(3-4-19)5-11(12,13)14/h6,19H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyPJGFHVUFNBXPOM-UHFFFAOYSA-N
XLogP1.11
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62075087
4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62080719
4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
CID 62076228
4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 62080467
4-amino-N-(2-ethoxyethyl)-N-ethyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55227290
4-amino-N-(cyclopropylmethyl)-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 62075249
4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075243
4-amino-N-pentyl-N,5-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 62076734
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridazine-3-carboxamide
CID 113339822
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 63207158
5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 104625736

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62075419) is 4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(CCO)CC(F)(F)F)c1N.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PJGFHVUFNBXPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-6(2)8-7(15)9(17-16-8)10(20)18(3-4-19)5-11(12,13)14/h6,19H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-(2-hydroxyethyl)-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 1.11, 5 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-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).