N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide

C10H17N5O2 — CID 114286312

IUPACN-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCCN)c1cnn(C)c1
InChIInChI=1S/C10H17N5O2/c1-7(8-5-13-15(2)6-8)14-10(17)9(16)12-4-3-11/h5-7H,3-4,11H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyJOXHRROZMXLICN-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.33
Rot. Bonds4

About N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide

N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide (PubChem CID 114286312) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
PubChem CID114286312
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCCN)c1cnn(C)c1
InChIInChI=1S/C10H17N5O2/c1-7(8-5-13-15(2)6-8)14-10(17)9(16)12-4-3-11/h5-7H,3-4,11H2,1-2H3,(H,12,16)(H,14,17)
InChIKeyJOXHRROZMXLICN-UHFFFAOYSA-N
XLogP-1.33
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
1-(1-methylpyrazol-4-yl)ethylthiourea
CID 130520619
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(2-thiophen-3-ylethyl)urea
CID 122159814
1-[3-(4-chlorophenyl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 125130730
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
1-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322404
1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507020
2-[(5-amino-2-methylpentanoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 112547719

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide (CID 114286312) is N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide is CC(NC(=O)C(=O)NCCN)c1cnn(C)c1.
What is the InChIKey of N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide?
The InChIKey is JOXHRROZMXLICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(8-5-13-15(2)6-8)14-10(17)9(16)12-4-3-11/h5-7H,3-4,11H2,1-2H3,(H,12,16)(H,14,17).
What are the key properties of N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide?
N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide has a molecular weight of 239.28 g/mol, XLogP of -1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide is sourced from PubChem (CID 114286312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).