(4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C10H10ClF3N4O2 — CID 40618976

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1N=CC[C@]1(O)C(F)(F)F
InChIInChI=1S/C10H10ClF3N4O2/c1-2-17-7(6(11)5-16-17)8(19)18-9(20,3-4-15-18)10(12,13)14/h4-5,20H,2-3H2,1H3/t9-/m0/s1
InChIKeySLJRZDGBQULTEK-VIFPVBQESA-N
MW310.66 g/mol
LogP1.64
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

(4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 40618976) has the molecular formula C10H10ClF3N4O2 and a molecular weight of 310.66 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID40618976
Molecular FormulaC10H10ClF3N4O2
Molecular Weight310.66 g/mol
Exact Mass310.04
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1N=CC[C@]1(O)C(F)(F)F
InChIInChI=1S/C10H10ClF3N4O2/c1-2-17-7(6(11)5-16-17)8(19)18-9(20,3-4-15-18)10(12,13)14/h4-5,20H,2-3H2,1H3/t9-/m0/s1
InChIKeySLJRZDGBQULTEK-VIFPVBQESA-N
XLogP1.64
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2-methylpyrazol-3-yl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4071115
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromo-2-methylpyrazol-3-yl)methanone
CID 4103503
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
1-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3604137
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
N-(2-amino-1-methyl-2-oxoethyl)-4-chloro-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 56872976
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 4534181
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-iodo-1-methyl-1H-pyrazol-3-yl)methanone
CID 5106945
[2-(difluoromethyl)pyrazol-3-yl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 51428515
4-chloro-1-methyl-N-[3-(4,4,4-trifluorobutanoylamino)cyclopentyl]pyrazole-3-carboxamide
CID 168452787
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-iodo-2-methylpyrazol-3-yl)methanone
CID 3523903
(4-chloro-2-methylpyrazol-3-yl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4092272

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 40618976) is (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is CCn1ncc(Cl)c1C(=O)N1N=CC[C@]1(O)C(F)(F)F.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is SLJRZDGBQULTEK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10ClF3N4O2/c1-2-17-7(6(11)5-16-17)8(19)18-9(20,3-4-15-18)10(12,13)14/h4-5,20H,2-3H2,1H3/t9-/m0/s1.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 310.66 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 40618976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).