methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate

C14H21N3O4 — CID 118432783

IUPACmethyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)15-9-6-8(9)11-7-10(12(18)20-5)16-17(11)4/h7-9H,6H2,1-5H3,(H,15,19)/t8-,9-/m1/s1
InChIKeyPOBHUTVOAUILQP-RKDXNWHRSA-N
MW295.34 g/mol
LogP1.59
Rot. Bonds3

About methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate

methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate (PubChem CID 118432783) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate
PubChem CID118432783
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n(C)n1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)15-9-6-8(9)11-7-10(12(18)20-5)16-17(11)4/h7-9H,6H2,1-5H3,(H,15,19)/t8-,9-/m1/s1
InChIKeyPOBHUTVOAUILQP-RKDXNWHRSA-N
XLogP1.59
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate (CID 118432783) is methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate is COC(=O)c1cc([C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n(C)n1.
What is the InChIKey of methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate?
The InChIKey is POBHUTVOAUILQP-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(19)15-9-6-8(9)11-7-10(12(18)20-5)16-17(11)4/h7-9H,6H2,1-5H3,(H,15,19)/t8-,9-/m1/s1.
What are the key properties of methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate?
methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrazole-3-carboxylate is sourced from PubChem (CID 118432783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).