N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide

C14H22N4O2 — CID 97310300

IUPACN'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1
InChIInChI=1S/C14H22N4O2/c1-9(2)8-15-13(19)14(20)17-12-6-7-16-18(12)10(3)11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,19)(H,17,20)/t10-/m1/s1
InChIKeyJKSZKNIEJRQHOC-SNVBAGLBSA-N
MW278.36 g/mol
LogP1.56
Rot. Bonds5

About N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide

N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide (PubChem CID 97310300) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
PubChem CID97310300
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1
InChIInChI=1S/C14H22N4O2/c1-9(2)8-15-13(19)14(20)17-12-6-7-16-18(12)10(3)11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,19)(H,17,20)/t10-/m1/s1
InChIKeyJKSZKNIEJRQHOC-SNVBAGLBSA-N
XLogP1.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 112771337
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
2-(4-chlorophenoxy)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]acetamide
CID 29339507
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
4-cyano-N-[2-[[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]amino]-2-oxoethyl]benzamide
CID 99699801

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide (CID 97310300) is N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1.
What is the InChIKey of N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide?
The InChIKey is JKSZKNIEJRQHOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)8-15-13(19)14(20)17-12-6-7-16-18(12)10(3)11-4-5-11/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,19)(H,17,20)/t10-/m1/s1.
What are the key properties of N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide?
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide has a molecular weight of 278.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 97310300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).