3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide

C9H15N5O2 — CID 106233227

IUPAC3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)CCCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H15N5O2/c10-7-5-6(13-14-7)9(16)12-4-2-1-3-8(11)15/h5H,1-4H2,(H2,11,15)(H,12,16)(H3,10,13,14)
InChIKeyUHIOOJNCARVOCP-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.62
Rot. Bonds6

About 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide

3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide (PubChem CID 106233227) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
PubChem CID106233227
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)CCCCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H15N5O2/c10-7-5-6(13-14-7)9(16)12-4-2-1-3-8(11)15/h5H,1-4H2,(H2,11,15)(H,12,16)(H3,10,13,14)
InChIKeyUHIOOJNCARVOCP-UHFFFAOYSA-N
XLogP-0.62
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
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-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 64524298
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106240270
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114464789
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523251
3-amino-N-(2-phenylsulfanylethyl)-1H-pyrazole-5-carboxamide
CID 64525684
3-amino-N-[2-(ethylamino)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 64524226
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 114161696
2-amino-N-(5-amino-5-oxopentyl)-5-bromopyridine-4-carboxamide
CID 114194094

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide (CID 106233227) is 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide is NC(=O)CCCCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UHIOOJNCARVOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-7-5-6(13-14-7)9(16)12-4-2-1-3-8(11)15/h5H,1-4H2,(H2,11,15)(H,12,16)(H3,10,13,14).
What are the key properties of 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 106233227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).