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

C10H17N5O2 — CID 106240270

IUPAC3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCCCCC(N)=O
InChIInChI=1S/C10H17N5O2/c1-6-8(9(12)15-14-6)10(17)13-5-3-2-4-7(11)16/h2-5H2,1H3,(H2,11,16)(H,13,17)(H3,12,14,15)
InChIKeyQSXTXSFAQGTXRH-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.31
Rot. Bonds6

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

3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 106240270) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID106240270
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCCCCC(N)=O
InChIInChI=1S/C10H17N5O2/c1-6-8(9(12)15-14-6)10(17)13-5-3-2-4-7(11)16/h2-5H2,1H3,(H2,11,16)(H,13,17)(H3,12,14,15)
InChIKeyQSXTXSFAQGTXRH-UHFFFAOYSA-N
XLogP-0.31
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-methyl-N-(3-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
CID 63958587
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 114161696
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
methyl 6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexanoate
CID 43623233
3-amino-N',N',5-trimethyl-1H-pyrazole-4-carbohydrazide
CID 83023624
3-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 55081557
3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60855101
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide
CID 115564788
3-amino-5-methyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 64643635
3-amino-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 55053425
3-amino-5-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 43373723

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 106240270) is 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NCCCCC(N)=O.
What is the InChIKey of 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is QSXTXSFAQGTXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6-8(9(12)15-14-6)10(17)13-5-3-2-4-7(11)16/h2-5H2,1H3,(H2,11,16)(H,13,17)(H3,12,14,15).
What are the key properties of 3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.31, 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)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106240270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).