5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide

C15H24N4O3S — CID 21008630

IUPAC5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C15H24N4O3S/c1-18(2)7-6-16-15(20)13-9-14(11-3-4-11)19(17-13)12-5-8-23(21,22)10-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyAWJOUXDCVMSINY-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.41
Rot. Bonds6

About 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide

5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide (PubChem CID 21008630) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
PubChem CID21008630
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C15H24N4O3S/c1-18(2)7-6-16-15(20)13-9-14(11-3-4-11)19(17-13)12-5-8-23(21,22)10-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyAWJOUXDCVMSINY-UHFFFAOYSA-N
XLogP0.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-[[1-(dimethylamino)-4-methylcyclohexyl]methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide
CID 92583737
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 110310800
N-tert-butyl-5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
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CID 110312137
5-cyclopropyl-N-[4-(dimethylamino)phenyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 17015993
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide
CID 121035457
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
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5-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxylate
CID 9125102
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide
CID 110295501
1-(1,1-dioxothiolan-3-yl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110390778
N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 21008537
N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide (CID 21008630) is 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide is CN(C)CCNC(=O)c1cc(C2CC2)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The InChIKey is AWJOUXDCVMSINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-18(2)7-6-16-15(20)13-9-14(11-3-4-11)19(17-13)12-5-8-23(21,22)10-12/h9,11-12H,3-8,10H2,1-2H3,(H,16,20).
What are the key properties of 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 21008630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).