4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide

C9H17N5O3S — CID 63863361

IUPAC4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(CNC(=O)c1[nH]ncc1N)NS(C)(=O)=O
InChIInChI=1S/C9H17N5O3S/c1-9(2,14-18(3,16)17)5-11-8(15)7-6(10)4-12-13-7/h4,14H,5,10H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyNQULKJKNGQHARM-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.95
Rot. Bonds5

About 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide

4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide (PubChem CID 63863361) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide
PubChem CID63863361
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(CNC(=O)c1[nH]ncc1N)NS(C)(=O)=O
InChIInChI=1S/C9H17N5O3S/c1-9(2,14-18(3,16)17)5-11-8(15)7-6(10)4-12-13-7/h4,14H,5,10H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyNQULKJKNGQHARM-UHFFFAOYSA-N
XLogP-0.95
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(methanesulfonamido)ethyl]-1H-pyrazole-5-carboxamide
CID 63101763
4-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 55178217
4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
2-amino-6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63863725
(4-amino-1H-pyrazol-5-yl)-methylsulfonylmethanone
CID 117218916
4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 63103781
4-amino-N-(2,3-dimethylbutyl)-1H-pyrazole-5-carboxamide
CID 64570387
3-(ethylamino)-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 105070214
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
5-chloro-6-hydrazinyl-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63861191
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide (CID 63863361) is 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide is CC(C)(CNC(=O)c1[nH]ncc1N)NS(C)(=O)=O.
What is the InChIKey of 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NQULKJKNGQHARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-9(2,14-18(3,16)17)5-11-8(15)7-6(10)4-12-13-7/h4,14H,5,10H2,1-3H3,(H,11,15)(H,12,13).
What are the key properties of 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 275.33 g/mol, XLogP of -0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63863361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).