3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide

C8H13N5O2 — CID 64524226

IUPAC3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H13N5O2/c1-2-10-7(14)4-11-8(15)5-3-6(9)13-12-5/h3H,2,4H2,1H3,(H,10,14)(H,11,15)(H3,9,12,13)
InChIKeyYRLMHBGPLNMKBO-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.14
Rot. Bonds4

About 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524226) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
PubChem CID64524226
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)CNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H13N5O2/c1-2-10-7(14)4-11-8(15)5-3-6(9)13-12-5/h3H,2,4H2,1H3,(H,10,14)(H,11,15)(H3,9,12,13)
InChIKeyYRLMHBGPLNMKBO-UHFFFAOYSA-N
XLogP-1.14
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
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CID 64524098
3-amino-N-(2-hydroxy-2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 65103461
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-5-carboxamide
CID 114163943
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628
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-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
methyl 3-[(3-amino-1H-pyrazole-5-carbonyl)amino]-2-hydroxypropanoate
CID 107211630
3-amino-N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-5-carboxamide
CID 66169145
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide (CID 64524226) is 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide is CCNC(=O)CNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YRLMHBGPLNMKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-2-10-7(14)4-11-8(15)5-3-6(9)13-12-5/h3H,2,4H2,1H3,(H,10,14)(H,11,15)(H3,9,12,13).
What are the key properties of 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).