N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide

C19H28N6O3S — CID 51135123

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C19H28N6O3S/c1-14-19(15(2)25(23-14)17-8-4-3-5-9-17)22-18(26)13-24-10-6-7-16(12-24)11-21-29(20,27)28/h3-5,8-9,16,21H,6-7,10-13H2,1-2H3,(H,22,26)(H2,20,27,28)
InChIKeyVOCBTSHTSPJESI-UHFFFAOYSA-N
MW420.54 g/mol
LogP0.93
Rot. Bonds7

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide (PubChem CID 51135123) has the molecular formula C19H28N6O3S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide
PubChem CID51135123
Molecular FormulaC19H28N6O3S
Molecular Weight420.54 g/mol
Exact Mass420.19
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC(CNS(N)(=O)=O)C1
InChIInChI=1S/C19H28N6O3S/c1-14-19(15(2)25(23-14)17-8-4-3-5-9-17)22-18(26)13-24-10-6-7-16(12-24)11-21-29(20,27)28/h3-5,8-9,16,21H,6-7,10-13H2,1-2H3,(H,22,26)(H2,20,27,28)
InChIKeyVOCBTSHTSPJESI-UHFFFAOYSA-N
XLogP0.93
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931236
1-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816585
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111496283
(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119914202
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 112773177
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 33205271
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 17427218
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566069
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide (CID 51135123) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC(CNS(N)(=O)=O)C1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide?
The InChIKey is VOCBTSHTSPJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3S/c1-14-19(15(2)25(23-14)17-8-4-3-5-9-17)22-18(26)13-24-10-6-7-16(12-24)11-21-29(20,27)28/h3-5,8-9,16,21H,6-7,10-13H2,1-2H3,(H,22,26)(H2,20,27,28).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-[(sulfamoylamino)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 51135123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).