N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide

C15H19N3O3S — CID 97143183

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccc([C@@H]3CCCO3)s2)[nH]n1
InChIInChI=1S/C15H19N3O3S/c1-20-9-11-7-10(17-18-11)8-16-15(19)14-5-4-13(22-14)12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyYQOKOPVJNOGYNF-LBPRGKRZSA-N
MW321.40 g/mol
LogP2.40
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide (PubChem CID 97143183) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
PubChem CID97143183
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
SMILESCOCc1cc(CNC(=O)c2ccc([C@@H]3CCCO3)s2)[nH]n1
InChIInChI=1S/C15H19N3O3S/c1-20-9-11-7-10(17-18-11)8-16-15(19)14-5-4-13(22-14)12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyYQOKOPVJNOGYNF-LBPRGKRZSA-N
XLogP2.40
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide (CID 97143183) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide is COCc1cc(CNC(=O)c2ccc([C@@H]3CCCO3)s2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The InChIKey is YQOKOPVJNOGYNF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-20-9-11-7-10(17-18-11)8-16-15(19)14-5-4-13(22-14)12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97143183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).