2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid

C16H18F3N5O3 — CID 122075538

IUPAC2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid
SMILESCc1cc(NC(=O)N(C)CC(C)C(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C16H18F3N5O3/c1-9(14(25)26)8-23(3)15(27)21-13-6-10(2)22-24(13)12-5-4-11(7-20-12)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyGCGJIDOYERDGRT-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.78
Rot. Bonds5

About 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid (PubChem CID 122075538) has the molecular formula C16H18F3N5O3 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid
PubChem CID122075538
Molecular FormulaC16H18F3N5O3
Molecular Weight385.35 g/mol
Exact Mass385.14
IUPAC Name2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid
SMILESCc1cc(NC(=O)N(C)CC(C)C(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C16H18F3N5O3/c1-9(14(25)26)8-23(3)15(27)21-13-6-10(2)22-24(13)12-5-4-11(7-20-12)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyGCGJIDOYERDGRT-UHFFFAOYSA-N
XLogP2.78
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

1-methyl-3-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-1-prop-2-enylurea
CID 99823227
3-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075415
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524167
2-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]sulfanylacetic acid
CID 62409710
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 17420505
N,5-dimethyl-N-(2-methylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 134059010
3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091236
1-(2-fluorophenyl)-N-[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 86883513
3-[(2-tert-butylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090426
2-methyl-3-[methyl-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]amino]propanoic acid
CID 122011422
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
(2R)-2-[[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119369745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid (CID 122075538) is 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid is Cc1cc(NC(=O)N(C)CC(C)C(=O)O)n(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid?
The InChIKey is GCGJIDOYERDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3/c1-9(14(25)26)8-23(3)15(27)21-13-6-10(2)22-24(13)12-5-4-11(7-20-12)16(17,18)19/h4-7,9H,8H2,1-3H3,(H,21,27)(H,25,26).
What are the key properties of 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid has a molecular weight of 385.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122075538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).