5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide

C9H17N5O — CID 106234066

IUPAC5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
SMILESCn1cc(N)c(NCCCCC(N)=O)n1
InChIInChI=1S/C9H17N5O/c1-14-6-7(10)9(13-14)12-5-3-2-4-8(11)15/h6H,2-5,10H2,1H3,(H2,11,15)(H,12,13)
InChIKeyJFRZSIKYWBUUDR-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.07
Rot. Bonds6

About 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide

5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide (PubChem CID 106234066) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
PubChem CID106234066
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide
SMILESCn1cc(N)c(NCCCCC(N)=O)n1
InChIInChI=1S/C9H17N5O/c1-14-6-7(10)9(13-14)12-5-3-2-4-8(11)15/h6H,2-5,10H2,1H3,(H2,11,15)(H,12,13)
InChIKeyJFRZSIKYWBUUDR-UHFFFAOYSA-N
XLogP0.07
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
3-N-(3-fluoro-3-methylbutyl)-1-methylpyrazole-3,4-diamine
CID 164654726
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
CID 103078919
1-methyl-3-N-(3-methylsulfinylbutyl)pyrazole-3,4-diamine
CID 103078897
4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol
CID 103078659
5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide
CID 106241605
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241585
1-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-3,4-diamine
CID 103078356
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
3-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
CID 103078653

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide?
The IUPAC name of 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide (CID 106234066) is 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide.
What is the SMILES notation for 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide?
The canonical SMILES for 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide is Cn1cc(N)c(NCCCCC(N)=O)n1.
What is the InChIKey of 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide?
The InChIKey is JFRZSIKYWBUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-14-6-7(10)9(13-14)12-5-3-2-4-8(11)15/h6H,2-5,10H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide?
5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide has a molecular weight of 211.27 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-1-methylpyrazol-3-yl)amino]pentanamide is sourced from PubChem (CID 106234066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).