[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate

C23H29N3O3 — CID 8998890

IUPAC[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESC[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C23H29N3O3/c1-16(22(27)24-18-9-5-2-3-6-10-18)29-23(28)21-15-20(17-13-14-17)25-26(21)19-11-7-4-8-12-19/h4,7-8,11-12,15-18H,2-3,5-6,9-10,13-14H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyLJWNURMAOGWXPW-MRXNPFEDSA-N
MW395.50 g/mol
LogP4.13
Rot. Bonds6

About [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (PubChem CID 8998890) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
PubChem CID8998890
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
SMILESC[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C23H29N3O3/c1-16(22(27)24-18-9-5-2-3-6-10-18)29-23(28)21-15-20(17-13-14-17)25-26(21)19-11-7-4-8-12-19/h4,7-8,11-12,15-18H,2-3,5-6,9-10,13-14H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyLJWNURMAOGWXPW-MRXNPFEDSA-N
XLogP4.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998852
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998870
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998883
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 7214597
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557147
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 7457580
[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998845
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998844
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 2635124
3-cyclopropyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 43024528

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The IUPAC name of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate (CID 8998890) is [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The canonical SMILES for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is C[C@@H](OC(=O)c1cc(C2CC2)nn1-c1ccccc1)C(=O)NC1CCCCCC1.
What is the InChIKey of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
The InChIKey is LJWNURMAOGWXPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(22(27)24-18-9-5-2-3-6-10-18)29-23(28)21-15-20(17-13-14-17)25-26(21)19-11-7-4-8-12-19/h4,7-8,11-12,15-18H,2-3,5-6,9-10,13-14H2,1H3,(H,24,27)/t16-/m1/s1.
What are the key properties of [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate?
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 8998890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).