2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid

C16H19F3N6O2 — CID 145419800

IUPAC2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid
SMILESCNc1nc(Nc2cc(C(C)(C)C(=O)O)nn2C2CC2)ncc1C(F)(F)F
InChIInChI=1S/C16H19F3N6O2/c1-15(2,13(26)27)10-6-11(25(24-10)8-4-5-8)22-14-21-7-9(16(17,18)19)12(20-3)23-14/h6-8H,4-5H2,1-3H3,(H,26,27)(H2,20,21,22,23)
InChIKeyQZSHCYXVQCXJBP-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.17
Rot. Bonds6

About 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid

2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid (PubChem CID 145419800) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid
PubChem CID145419800
Molecular FormulaC16H19F3N6O2
Molecular Weight384.36 g/mol
Exact Mass384.15
IUPAC Name2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid
SMILESCNc1nc(Nc2cc(C(C)(C)C(=O)O)nn2C2CC2)ncc1C(F)(F)F
InChIInChI=1S/C16H19F3N6O2/c1-15(2,13(26)27)10-6-11(25(24-10)8-4-5-8)22-14-21-7-9(16(17,18)19)12(20-3)23-14/h6-8H,4-5H2,1-3H3,(H,26,27)(H2,20,21,22,23)
InChIKeyQZSHCYXVQCXJBP-UHFFFAOYSA-N
XLogP3.17
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid with MolForge

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Related Compounds

US9932325, Example 162
CID 132232493
US9932325, Example 143
CID 132244715
US9932325, Example 145
CID 132244716
US9932325, Example 155
CID 132244722
US9932325, Example 160
CID 132244726
US9932325, Example 163
CID 132244728
US9932325, Example 165
CID 132244730
US9932325, Example 168
CID 132244731
US9932325, Example 173
CID 132244735
US9932325, Example 175
CID 132244736
US9932325, Example 185
CID 132244739
US9932325, Example 184
CID 132244743

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid (CID 145419800) is 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid is CNc1nc(Nc2cc(C(C)(C)C(=O)O)nn2C2CC2)ncc1C(F)(F)F.
What is the InChIKey of 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid?
The InChIKey is QZSHCYXVQCXJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2/c1-15(2,13(26)27)10-6-11(25(24-10)8-4-5-8)22-14-21-7-9(16(17,18)19)12(20-3)23-14/h6-8H,4-5H2,1-3H3,(H,26,27)(H2,20,21,22,23).
What are the key properties of 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid?
2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid has a molecular weight of 384.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 145419800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).