4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide

C15H22N4O3 — CID 56821643

IUPAC4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
SMILESCn1cc(C2CC2C(=O)NCC2(C(N)=O)CCOCC2)cn1
InChIInChI=1S/C15H22N4O3/c1-19-8-10(7-18-19)11-6-12(11)13(20)17-9-15(14(16)21)2-4-22-5-3-15/h7-8,11-12H,2-6,9H2,1H3,(H2,16,21)(H,17,20)
InChIKeyTYYZLYYGIOUKDN-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.08
Rot. Bonds5

About 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide

4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide (PubChem CID 56821643) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
PubChem CID56821643
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
SMILESCn1cc(C2CC2C(=O)NCC2(C(N)=O)CCOCC2)cn1
InChIInChI=1S/C15H22N4O3/c1-19-8-10(7-18-19)11-6-12(11)13(20)17-9-15(14(16)21)2-4-22-5-3-15/h7-8,11-12H,2-6,9H2,1H3,(H2,16,21)(H,17,20)
InChIKeyTYYZLYYGIOUKDN-UHFFFAOYSA-N
XLogP-0.08
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide (CID 56821643) is 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide is Cn1cc(C2CC2C(=O)NCC2(C(N)=O)CCOCC2)cn1.
What is the InChIKey of 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide?
The InChIKey is TYYZLYYGIOUKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-19-8-10(7-18-19)11-6-12(11)13(20)17-9-15(14(16)21)2-4-22-5-3-15/h7-8,11-12H,2-6,9H2,1H3,(H2,16,21)(H,17,20).
What are the key properties of 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide?
4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56821643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).