methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate

C14H22N4O3 — CID 136571709

IUPACmethyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)NCC2(C(C)C)CC2)n(C)n1
InChIInChI=1S/C14H22N4O3/c1-9(2)14(5-6-14)8-15-13(20)16-11-7-10(12(19)21-4)17-18(11)3/h7,9H,5-6,8H2,1-4H3,(H2,15,16,20)
InChIKeyIZXKSIHWNQEJJZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.76
Rot. Bonds5

About methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate

methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate (PubChem CID 136571709) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate
PubChem CID136571709
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Namemethyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)NCC2(C(C)C)CC2)n(C)n1
InChIInChI=1S/C14H22N4O3/c1-9(2)14(5-6-14)8-15-13(20)16-11-7-10(12(19)21-4)17-18(11)3/h7,9H,5-6,8H2,1-4H3,(H2,15,16,20)
InChIKeyIZXKSIHWNQEJJZ-UHFFFAOYSA-N
XLogP1.76
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate (CID 136571709) is methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate is COC(=O)c1cc(NC(=O)NCC2(C(C)C)CC2)n(C)n1.
What is the InChIKey of methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate?
The InChIKey is IZXKSIHWNQEJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)14(5-6-14)8-15-13(20)16-11-7-10(12(19)21-4)17-18(11)3/h7,9H,5-6,8H2,1-4H3,(H2,15,16,20).
What are the key properties of methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate?
methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate has a molecular weight of 294.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]pyrazole-3-carboxylate is sourced from PubChem (CID 136571709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).