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

C10H19N5O3S — CID 63103781

IUPAC4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CCCNC(=O)c1[nH]ncc1N)S(C)(=O)=O
InChIInChI=1S/C10H19N5O3S/c1-3-15(19(2,17)18)6-4-5-12-10(16)9-8(11)7-13-14-9/h7H,3-6,11H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyNLNYMMJACIDFOW-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.61
Rot. Bonds7

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

4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide (PubChem CID 63103781) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
PubChem CID63103781
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CCCNC(=O)c1[nH]ncc1N)S(C)(=O)=O
InChIInChI=1S/C10H19N5O3S/c1-3-15(19(2,17)18)6-4-5-12-10(16)9-8(11)7-13-14-9/h7H,3-6,11H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyNLNYMMJACIDFOW-UHFFFAOYSA-N
XLogP-0.61
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.61
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

4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 63101763
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61013814
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
CID 61139821
4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 63102669
2-(4-aminopyrazol-1-yl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
CID 61139822
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
6-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridazine-3-carboxamide
CID 61053648
(4-amino-1H-pyrazol-5-yl)-methylsulfonylmethanone
CID 117218916
6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide
CID 48679346
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide (CID 63103781) is 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide is CCN(CCCNC(=O)c1[nH]ncc1N)S(C)(=O)=O.
What is the InChIKey of 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NLNYMMJACIDFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-3-15(19(2,17)18)6-4-5-12-10(16)9-8(11)7-13-14-9/h7H,3-6,11H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).