N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C15H23N3O3S — CID 126827813

IUPACN-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCS(=O)(=O)n1cc(NC(=O)C2CCC3CCCCC3C2)cn1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18-10-14(9-16-18)17-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h9-13H,2-8H2,1H3,(H,17,19)
InChIKeyKYVNSQDQNVUJOI-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.24
Rot. Bonds3

About N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 126827813) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID126827813
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCS(=O)(=O)n1cc(NC(=O)C2CCC3CCCCC3C2)cn1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18-10-14(9-16-18)17-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h9-13H,2-8H2,1H3,(H,17,19)
InChIKeyKYVNSQDQNVUJOI-UHFFFAOYSA-N
XLogP2.24
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 115910697
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963969
3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708
3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119776547
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenyl]acetic acid
CID 120530686
N-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119292200

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 126827813) is N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CS(=O)(=O)n1cc(NC(=O)C2CCC3CCCCC3C2)cn1.
What is the InChIKey of N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is KYVNSQDQNVUJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)18-10-14(9-16-18)17-15(19)13-7-6-11-4-2-3-5-12(11)8-13/h9-13H,2-8H2,1H3,(H,17,19).
What are the key properties of N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpyrazol-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 126827813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).