N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide

C15H25N3O3S — CID 75392033

IUPACN-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NS(=O)(=O)C2CCC(C)(C)CC2)cn1
InChIInChI=1S/C15H25N3O3S/c1-15(2)8-6-13(7-9-15)22(20,21)17-14(19)5-4-12-10-16-18(3)11-12/h10-11,13H,4-9H2,1-3H3,(H,17,19)
InChIKeyLDLOGQJZDXZWLH-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.77
Rot. Bonds5

About N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide

N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 75392033) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID75392033
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NS(=O)(=O)C2CCC(C)(C)CC2)cn1
InChIInChI=1S/C15H25N3O3S/c1-15(2)8-6-13(7-9-15)22(20,21)17-14(19)5-4-12-10-16-18(3)11-12/h10-11,13H,4-9H2,1-3H3,(H,17,19)
InChIKeyLDLOGQJZDXZWLH-UHFFFAOYSA-N
XLogP1.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
N-[(2S)-2-methylbutyl]sulfonyl-3-(1-methylpyrazol-4-yl)propanamide
CID 96531022
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 119567446
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376
N-[1-(aminomethyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119567445
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
1-cycloheptyl-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007553
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide (CID 75392033) is N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NS(=O)(=O)C2CCC(C)(C)CC2)cn1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is LDLOGQJZDXZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-15(2)8-6-13(7-9-15)22(20,21)17-14(19)5-4-12-10-16-18(3)11-12/h10-11,13H,4-9H2,1-3H3,(H,17,19).
What are the key properties of N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide?
N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 327.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)sulfonyl-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 75392033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).