N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide

C13H20N4O3S — CID 60958867

IUPACN-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C13H20N4O3S/c1-9-12(8-14-16-9)21(19,20)17-6-4-11(5-7-17)15-13(18)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,14,16)(H,15,18)
InChIKeyOBFSMVPURFARON-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.40
Rot. Bonds4

About N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 60958867) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID60958867
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCc1[nH]ncc1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C13H20N4O3S/c1-9-12(8-14-16-9)21(19,20)17-6-4-11(5-7-17)15-13(18)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,14,16)(H,15,18)
InChIKeyOBFSMVPURFARON-UHFFFAOYSA-N
XLogP0.40
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 62068447
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110823345
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
CID 119999942
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole
CID 63400848
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
CID 60910836
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
CID 63174913
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 61115622
N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]acetamide
CID 113402030
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
N-cyclopropyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 54929871
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 103576385

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide (CID 60958867) is N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide is Cc1[nH]ncc1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is OBFSMVPURFARON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9-12(8-14-16-9)21(19,20)17-6-4-11(5-7-17)15-13(18)10-2-3-10/h8,10-11H,2-7H2,1H3,(H,14,16)(H,15,18).
What are the key properties of N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 312.40 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 60958867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).