N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide

C10H17N5O2 — CID 106033656

IUPACN-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
SMILESCc1c(CNC(=O)C(=O)NCCN)cnn1C
InChIInChI=1S/C10H17N5O2/c1-7-8(6-14-15(7)2)5-13-10(17)9(16)12-4-3-11/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyCYKZSJTYEMRBPO-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.58
Rot. Bonds4

About N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide

N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide (PubChem CID 106033656) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
PubChem CID106033656
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
SMILESCc1c(CNC(=O)C(=O)NCCN)cnn1C
InChIInChI=1S/C10H17N5O2/c1-7-8(6-14-15(7)2)5-13-10(17)9(16)12-4-3-11/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyCYKZSJTYEMRBPO-UHFFFAOYSA-N
XLogP-1.58
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 ≤ 5-1.58
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

4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 106033658
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
1-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide
CID 106047363
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide (CID 106033656) is N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide is Cc1c(CNC(=O)C(=O)NCCN)cnn1C.
What is the InChIKey of N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide?
The InChIKey is CYKZSJTYEMRBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7-8(6-14-15(7)2)5-13-10(17)9(16)12-4-3-11/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide?
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide has a molecular weight of 239.28 g/mol, XLogP of -1.58, 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'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide is sourced from PubChem (CID 106033656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).