N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide

C11H17F3N4O2 — CID 110017467

IUPACN-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide
SMILESCC(CC(F)(F)F)Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C11H17F3N4O2/c1-8(4-11(12,13)14)17-9-5-16-18(6-9)7-10(20)15-2-3-19/h5-6,8,17,19H,2-4,7H2,1H3,(H,15,20)
InChIKeyZSBKPNQLYNWKDS-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.74
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide (PubChem CID 110017467) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide
PubChem CID110017467
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC NameN-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide
SMILESCC(CC(F)(F)F)Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C11H17F3N4O2/c1-8(4-11(12,13)14)17-9-5-16-18(6-9)7-10(20)15-2-3-19/h5-6,8,17,19H,2-4,7H2,1H3,(H,15,20)
InChIKeyZSBKPNQLYNWKDS-UHFFFAOYSA-N
XLogP0.74
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide (CID 110017467) is N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide is CC(CC(F)(F)F)Nc1cnn(CC(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide?
The InChIKey is ZSBKPNQLYNWKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-8(4-11(12,13)14)17-9-5-16-18(6-9)7-10(20)15-2-3-19/h5-6,8,17,19H,2-4,7H2,1H3,(H,15,20).
What are the key properties of N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide has a molecular weight of 294.28 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-(4,4,4-trifluorobutan-2-ylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 110017467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).