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

C11H19N5O2 — CID 114161696

IUPAC4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCCCC(N)=O)c1N
InChIInChI=1S/C11H19N5O2/c1-2-7-9(13)10(16-15-7)11(18)14-6-4-3-5-8(12)17/h2-6,13H2,1H3,(H2,12,17)(H,14,18)(H,15,16)
InChIKeyVRRQQMDZDAOYNF-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.06
Rot. Bonds7

About 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide

4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 114161696) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID114161696
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCCCC(N)=O)c1N
InChIInChI=1S/C11H19N5O2/c1-2-7-9(13)10(16-15-7)11(18)14-6-4-3-5-8(12)17/h2-6,13H2,1H3,(H2,12,17)(H,14,18)(H,15,16)
InChIKeyVRRQQMDZDAOYNF-UHFFFAOYSA-N
XLogP-0.06
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.06
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

4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034048
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CID 62082513
4-amino-5-ethyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-3-carboxamide
CID 113449775
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106240270
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036
4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62080974
ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate
CID 64581941
4-amino-N-hex-5-ynyl-5-propyl-1H-pyrazole-3-carboxamide
CID 114158301
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034163
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 102694323
4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106332637

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 114161696) is 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCCCC(N)=O)c1N.
What is the InChIKey of 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is VRRQQMDZDAOYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-7-9(13)10(16-15-7)11(18)14-6-4-3-5-8(12)17/h2-6,13H2,1H3,(H2,12,17)(H,14,18)(H,15,16).
What are the key properties of 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 114161696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).