4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide

C11H21N5O3S — CID 106332637

IUPAC4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCCNS(C)(=O)=O)c1N
InChIInChI=1S/C11H21N5O3S/c1-3-5-8-9(12)10(16-15-8)11(17)13-6-4-7-14-20(2,18)19/h14H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRJPPIWNBPMPFRG-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.39
Rot. Bonds8

About 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 106332637) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID106332637
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCCNS(C)(=O)=O)c1N
InChIInChI=1S/C11H21N5O3S/c1-3-5-8-9(12)10(16-15-8)11(17)13-6-4-7-14-20(2,18)19/h14H,3-7,12H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRJPPIWNBPMPFRG-UHFFFAOYSA-N
XLogP-0.39
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-ethyl-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-3-carboxamide
CID 62082513
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757
4-amino-N-(3-ethoxypropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034163
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
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-ethoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62076097
4-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62498759
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-5-propyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 114187152
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 114161696

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 106332637) is 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCCCNS(C)(=O)=O)c1N.
What is the InChIKey of 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is RJPPIWNBPMPFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-3-5-8-9(12)10(16-15-8)11(17)13-6-4-7-14-20(2,18)19/h14H,3-7,12H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of -0.39, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methanesulfonamido)propyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106332637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).