3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide

C10H16N4O2 — CID 114464789

IUPAC3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
SMILESC=C(C)COCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H16N4O2/c1-7(2)6-16-4-3-12-10(15)8-5-9(11)14-13-8/h5H,1,3-4,6H2,2H3,(H,12,15)(H3,11,13,14)
InChIKeyUFAWLFUJQSPDOA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.31
Rot. Bonds6

About 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 114464789) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID114464789
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
SMILESC=C(C)COCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H16N4O2/c1-7(2)6-16-4-3-12-10(15)8-5-9(11)14-13-8/h5H,1,3-4,6H2,2H3,(H,12,15)(H3,11,13,14)
InChIKeyUFAWLFUJQSPDOA-UHFFFAOYSA-N
XLogP0.31
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523251
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211630
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
3-amino-N-(2-phenylsulfanylethyl)-1H-pyrazole-5-carboxamide
CID 64525684
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfonylbenzamide
CID 114464857

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide (CID 114464789) is 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide is C=C(C)COCCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UFAWLFUJQSPDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(2)6-16-4-3-12-10(15)8-5-9(11)14-13-8/h5H,1,3-4,6H2,2H3,(H,12,15)(H3,11,13,14).
What are the key properties of 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114464789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).