4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide

C10H18N4OS — CID 63981757

IUPAC4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCSC)c1N
InChIInChI=1S/C10H18N4OS/c1-3-4-7-8(11)9(14-13-7)10(15)12-5-6-16-2/h3-6,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyKGHNREXCMUIRFS-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.04
Rot. Bonds6

About 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 63981757) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID63981757
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCSC)c1N
InChIInChI=1S/C10H18N4OS/c1-3-4-7-8(11)9(14-13-7)10(15)12-5-6-16-2/h3-6,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyKGHNREXCMUIRFS-UHFFFAOYSA-N
XLogP1.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
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-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-5-propyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 114187152
4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106332637
4-amino-N-(2-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076097
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034163
4-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62498759
4-amino-N-hex-5-ynyl-5-propyl-1H-pyrazole-3-carboxamide
CID 114158301
ethyl 4-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoate
CID 64581941
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-(3,3-difluoro-2-hydroxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 114092837

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 63981757) is 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCCSC)c1N.
What is the InChIKey of 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is KGHNREXCMUIRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-4-7-8(11)9(14-13-7)10(15)12-5-6-16-2/h3-6,11H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63981757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).