N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide

C17H29N5O3 — CID 97001775

IUPACN-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide
SMILESCOCCn1nc(C)c(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1C
InChIInChI=1S/C17H29N5O3/c1-11(21(4)14-6-7-14)10-18-16(23)17(24)19-15-12(2)20-22(13(15)3)8-9-25-5/h11,14H,6-10H2,1-5H3,(H,18,23)(H,19,24)/t11-/m1/s1
InChIKeyILVIQHUEHRUBNS-LLVKDONJSA-N
MW351.45 g/mol
LogP0.68
Rot. Bonds8

About N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide

N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide (PubChem CID 97001775) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide
PubChem CID97001775
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC NameN-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide
SMILESCOCCn1nc(C)c(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1C
InChIInChI=1S/C17H29N5O3/c1-11(21(4)14-6-7-14)10-18-16(23)17(24)19-15-12(2)20-22(13(15)3)8-9-25-5/h11,14H,6-10H2,1-5H3,(H,18,23)(H,19,24)/t11-/m1/s1
InChIKeyILVIQHUEHRUBNS-LLVKDONJSA-N
XLogP0.68
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide?
The IUPAC name of N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide (CID 97001775) is N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide.
What is the SMILES notation for N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide?
The canonical SMILES for N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide is COCCn1nc(C)c(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1C.
What is the InChIKey of N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide?
The InChIKey is ILVIQHUEHRUBNS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-11(21(4)14-6-7-14)10-18-16(23)17(24)19-15-12(2)20-22(13(15)3)8-9-25-5/h11,14H,6-10H2,1-5H3,(H,18,23)(H,19,24)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide?
N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide has a molecular weight of 351.45 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide is sourced from PubChem (CID 97001775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).