3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide

C8H13N5O2 — CID 64524871

IUPAC3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H13N5O2/c1-4(7(14)10-2)11-8(15)5-3-6(9)13-12-5/h3-4H,1-2H3,(H,10,14)(H,11,15)(H3,9,12,13)
InChIKeyQATFMYVKLNJUBK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.14
Rot. Bonds3

About 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide

3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 64524871) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID64524871
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H13N5O2/c1-4(7(14)10-2)11-8(15)5-3-6(9)13-12-5/h3-4H,1-2H3,(H,10,14)(H,11,15)(H3,9,12,13)
InChIKeyQATFMYVKLNJUBK-UHFFFAOYSA-N
XLogP-1.14
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
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-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
3-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 64524870
methyl 2-[(3-amino-1H-pyrazole-5-carbonyl)amino]-3-methylbutanoate
CID 64525404
3-amino-N-(2-methylpentan-3-yl)-1H-pyrazole-5-carboxamide
CID 64524872
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 106281052
3-amino-N-(1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523510
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 64524809
3-amino-N-(2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 64524098
3-amino-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523047
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524412
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide (CID 64524871) is 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide is CNC(=O)C(C)NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is QATFMYVKLNJUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-4(7(14)10-2)11-8(15)5-3-6(9)13-12-5/h3-4H,1-2H3,(H,10,14)(H,11,15)(H3,9,12,13).
What are the key properties of 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide?
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).