5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide

C8H13N5O2 — CID 115330437

IUPAC5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCC(N)=O)c1N
InChIInChI=1S/C8H13N5O2/c1-13-7(10)5(4-12-13)8(15)11-3-2-6(9)14/h4H,2-3,10H2,1H3,(H2,9,14)(H,11,15)
InChIKeyZJROGBYAJMFXIQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.39
Rot. Bonds4

About 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide (PubChem CID 115330437) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
PubChem CID115330437
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCC(N)=O)c1N
InChIInChI=1S/C8H13N5O2/c1-13-7(10)5(4-12-13)8(15)11-3-2-6(9)14/h4H,2-3,10H2,1H3,(H2,9,14)(H,11,15)
InChIKeyZJROGBYAJMFXIQ-UHFFFAOYSA-N
XLogP-1.39
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 104592175
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
CID 115330667
5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
N-(3-amino-3-sulfanylidenepropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 62665555
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
CID 104586972
5-amino-1-methyl-N-(3-methylbut-2-enyl)pyrazole-4-carboxamide
CID 103528129
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 115330998

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide (CID 115330437) is 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCCC(N)=O)c1N.
What is the InChIKey of 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ZJROGBYAJMFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13-7(10)5(4-12-13)8(15)11-3-2-6(9)14/h4H,2-3,10H2,1H3,(H2,9,14)(H,11,15).
What are the key properties of 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).