(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C15H16F4N4O — CID 99616440

IUPAC(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1c(N[C@H](C)C(=O)NCC(F)(F)F)cnn1-c1ccccc1F
InChIInChI=1S/C15H16F4N4O/c1-9(14(24)20-8-15(17,18)19)22-12-7-21-23(10(12)2)13-6-4-3-5-11(13)16/h3-7,9,22H,8H2,1-2H3,(H,20,24)/t9-/m1/s1
InChIKeyQCQILWCGMWOARG-SECBINFHSA-N
MW344.31 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 99616440) has the molecular formula C15H16F4N4O and a molecular weight of 344.31 g/mol. Its IUPAC name is (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID99616440
Molecular FormulaC15H16F4N4O
Molecular Weight344.31 g/mol
Exact Mass344.13
IUPAC Name(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1c(N[C@H](C)C(=O)NCC(F)(F)F)cnn1-c1ccccc1F
InChIInChI=1S/C15H16F4N4O/c1-9(14(24)20-8-15(17,18)19)22-12-7-21-23(10(12)2)13-6-4-3-5-11(13)16/h3-7,9,22H,8H2,1-2H3,(H,20,24)/t9-/m1/s1
InChIKeyQCQILWCGMWOARG-SECBINFHSA-N
XLogP2.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570006
4-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122087341
1-(2-fluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111446698
1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
CID 122150700
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111480283
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 107599310
2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570045
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
3-ethyl-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-hydroxyazetidine-1-carboxamide
CID 154735938
(2S,3S)-N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-2-methyloxane-3-carboxamide
CID 129400162
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 75417905

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 99616440) is (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1c(N[C@H](C)C(=O)NCC(F)(F)F)cnn1-c1ccccc1F.
What is the InChIKey of (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QCQILWCGMWOARG-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F4N4O/c1-9(14(24)20-8-15(17,18)19)22-12-7-21-23(10(12)2)13-6-4-3-5-11(13)16/h3-7,9,22H,8H2,1-2H3,(H,20,24)/t9-/m1/s1.
What are the key properties of (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 344.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 99616440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).