N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide

C9H13N3OS — CID 43582039

IUPACN-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C1CCSC1
InChIInChI=1S/C9H13N3OS/c1-12(8-2-3-14-6-8)9(13)7-4-10-11-5-7/h4-5,8H,2-3,6H2,1H3,(H,10,11)
InChIKeyPOOXPOUSFABUCN-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.99
Rot. Bonds2

About N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide

N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43582039) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID43582039
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C1CCSC1
InChIInChI=1S/C9H13N3OS/c1-12(8-2-3-14-6-8)9(13)7-4-10-11-5-7/h4-5,8H,2-3,6H2,1H3,(H,10,11)
InChIKeyPOOXPOUSFABUCN-UHFFFAOYSA-N
XLogP0.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959976
N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-4-carboxamide
CID 103621099
[2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 126792730
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N,N-diethyl-1H-pyrazole-4-carboxamide
CID 43582299
N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 43582583
N-ethyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43583075
N-cyclopropyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43583082
N-ethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43583120
N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 54512924
(3-methylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 61226238

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide (CID 43582039) is N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1)C1CCSC1.
What is the InChIKey of N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is POOXPOUSFABUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-12(8-2-3-14-6-8)9(13)7-4-10-11-5-7/h4-5,8H,2-3,6H2,1H3,(H,10,11).
What are the key properties of N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide?
N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiolan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).