N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

C14H24N4O3S — CID 19584324

IUPACN-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1ccnn1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O3S/c1-12-4-8-16-18(12)9-3-7-15-14(19)13-5-10-17(11-6-13)22(2,20)21/h4,8,13H,3,5-7,9-11H2,1-2H3,(H,15,19)
InChIKeyAFWAFPVZMHRENI-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.37
Rot. Bonds6

About N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19584324) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19584324
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1ccnn1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O3S/c1-12-4-8-16-18(12)9-3-7-15-14(19)13-5-10-17(11-6-13)22(2,20)21/h4,8,13H,3,5-7,9-11H2,1-2H3,(H,15,19)
InChIKeyAFWAFPVZMHRENI-UHFFFAOYSA-N
XLogP0.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 17022877
1-(methylsulfonyl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}piperidine-4-carboxamide
CID 17022949
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 19584299
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 47030010
N-{1-[2-methyl-3-(1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methanesulfonamide
CID 70773667
1-(methylsulfonyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)piperidine-4-carboxamide
CID 71808038
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49738354
1,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazole-4-carboxamide
CID 45808902
N-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
CID 71899330
N-{[1-(propylsulfonyl)piperidin-4-yl]methyl}-3-(1H-pyrazol-1-yl)propanamide
CID 131890431
N-[(1-{[isopropyl(methyl)amino]sulfonyl}piperidin-4-yl)methyl]-4-(1H-pyrazol-1-yl)butanamide
CID 131934613

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19584324) is N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1ccnn1CCCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is AFWAFPVZMHRENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-12-4-8-16-18(12)9-3-7-15-14(19)13-5-10-17(11-6-13)22(2,20)21/h4,8,13H,3,5-7,9-11H2,1-2H3,(H,15,19).
What are the key properties of N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylpyrazol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19584324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).