N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide

C20H25N3O2S — CID 153326537

IUPACN-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
SMILESCc1c(CN(C)S(=O)(=O)c2cccc3ccccc23)c(C(C)C)nn1C
InChIInChI=1S/C20H25N3O2S/c1-14(2)20-18(15(3)23(5)21-20)13-22(4)26(24,25)19-12-8-10-16-9-6-7-11-17(16)19/h6-12,14H,13H2,1-5H3
InChIKeyIUSOHKXXQFABOL-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.83
Rot. Bonds5

About N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide

N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide (PubChem CID 153326537) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
PubChem CID153326537
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
SMILESCc1c(CN(C)S(=O)(=O)c2cccc3ccccc23)c(C(C)C)nn1C
InChIInChI=1S/C20H25N3O2S/c1-14(2)20-18(15(3)23(5)21-20)13-22(4)26(24,25)19-12-8-10-16-9-6-7-11-17(16)19/h6-12,14H,13H2,1-5H3
InChIKeyIUSOHKXXQFABOL-UHFFFAOYSA-N
XLogP3.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 831765
2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 151990254
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
5-(dimethylamino)-N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
CID 153326547
N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide
CID 114795551
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N-methyl-N-(4-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795824
5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326589
N,N-dimethyl-2-[methyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 115684021

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide (CID 153326537) is N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide is Cc1c(CN(C)S(=O)(=O)c2cccc3ccccc23)c(C(C)C)nn1C.
What is the InChIKey of N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide?
The InChIKey is IUSOHKXXQFABOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14(2)20-18(15(3)23(5)21-20)13-22(4)26(24,25)19-12-8-10-16-9-6-7-11-17(16)19/h6-12,14H,13H2,1-5H3.
What are the key properties of N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide?
N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide has a molecular weight of 371.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 153326537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).