N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide

C15H23N3O3S — CID 146135219

IUPACN-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(C(C)C)cc1C(=O)NS(=O)(=O)C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H23N3O3S/c1-9(2)18-8-13(10(3)16-18)15(19)17-22(20,21)14-7-11-4-5-12(14)6-11/h8-9,11-12,14H,4-7H2,1-3H3,(H,17,19)/t11-,12+,14?/m1/s1
InChIKeyQKCSQTPFHYUHFX-RJTITELWSA-N
MW325.43 g/mol
LogP2.02
Rot. Bonds4

About N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide

N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 146135219) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID146135219
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1nn(C(C)C)cc1C(=O)NS(=O)(=O)C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C15H23N3O3S/c1-9(2)18-8-13(10(3)16-18)15(19)17-22(20,21)14-7-11-4-5-12(14)6-11/h8-9,11-12,14H,4-7H2,1-3H3,(H,17,19)/t11-,12+,14?/m1/s1
InChIKeyQKCSQTPFHYUHFX-RJTITELWSA-N
XLogP2.02
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 136582501
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-fluoro-2-methylbenzamide
CID 136582894
(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 136583372
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
CID 136582497
N-(2-bicyclo[2.2.2]octanylsulfonyl)-1-tert-butyltriazole-4-carboxamide
CID 167974973
3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 136551490
(2R)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 98331541
2-[cyclobutyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 154740857
(1R,2R,4R)-2-propan-2-ylsulfonylbicyclo[2.2.1]heptane
CID 98304426
4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
CID 136551289
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 98288782
N,N-dicyclohexyl-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282291

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide (CID 146135219) is N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide is Cc1nn(C(C)C)cc1C(=O)NS(=O)(=O)C1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is QKCSQTPFHYUHFX-RJTITELWSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-9(2)18-8-13(10(3)16-18)15(19)17-22(20,21)14-7-11-4-5-12(14)6-11/h8-9,11-12,14H,4-7H2,1-3H3,(H,17,19)/t11-,12+,14?/m1/s1.
What are the key properties of N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide?
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 146135219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).