N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide

C16H24N4O3 — CID 166272344

IUPACN'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide
SMILESCn1nc(C2CC2)cc1NC(=O)C(=O)NCC1(CO)CC1(C)C
InChIInChI=1S/C16H24N4O3/c1-15(2)7-16(15,9-21)8-17-13(22)14(23)18-12-6-11(10-4-5-10)19-20(12)3/h6,10,21H,4-5,7-9H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyBJVYHVQWHFFXCZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.76
Rot. Bonds5

About N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide

N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide (PubChem CID 166272344) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide
PubChem CID166272344
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide
SMILESCn1nc(C2CC2)cc1NC(=O)C(=O)NCC1(CO)CC1(C)C
InChIInChI=1S/C16H24N4O3/c1-15(2)7-16(15,9-21)8-17-13(22)14(23)18-12-6-11(10-4-5-10)19-20(12)3/h6,10,21H,4-5,7-9H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyBJVYHVQWHFFXCZ-UHFFFAOYSA-N
XLogP0.76
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide?
The IUPAC name of N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide (CID 166272344) is N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide.
What is the SMILES notation for N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide?
The canonical SMILES for N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide is Cn1nc(C2CC2)cc1NC(=O)C(=O)NCC1(CO)CC1(C)C.
What is the InChIKey of N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide?
The InChIKey is BJVYHVQWHFFXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-15(2)7-16(15,9-21)8-17-13(22)14(23)18-12-6-11(10-4-5-10)19-20(12)3/h6,10,21H,4-5,7-9H2,1-3H3,(H,17,22)(H,18,23).
What are the key properties of N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide?
N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide has a molecular weight of 320.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide is sourced from PubChem (CID 166272344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).