N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

C20H23N3O3S — CID 164641368

IUPACN-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)c1cn[nH]c1-c1ccsc1)OC(C)C
InChIInChI=1S/C20H23N3O3S/c1-13(2)26-18(15-6-4-5-7-17(15)25-3)11-21-20(24)16-10-22-23-19(16)14-8-9-27-12-14/h4-10,12-13,18H,11H2,1-3H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeySOWUEPVAKNUASV-SFHVURJKSA-N
MW385.49 g/mol
LogP4.04
Rot. Bonds8

About N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide

N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 164641368) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
PubChem CID164641368
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)c1cn[nH]c1-c1ccsc1)OC(C)C
InChIInChI=1S/C20H23N3O3S/c1-13(2)26-18(15-6-4-5-7-17(15)25-3)11-21-20(24)16-10-22-23-19(16)14-8-9-27-12-14/h4-10,12-13,18H,11H2,1-3H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeySOWUEPVAKNUASV-SFHVURJKSA-N
XLogP4.04
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795782
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49791400
5-(2-methoxyphenyl)-N-(2-(thiophen-2-yl)ethyl)-1H-pyrazole-3-carboxamide
CID 45504210
N-cyclopropyl-2-[[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methoxy]benzamide
CID 91913518
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 126790112
N-[(2R)-2-ethoxy-2-phenylethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 164633474
N-[phenyl-(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 69862277
7-[4-fluoro-2-(2-methoxyethoxy)phenyl]-6-(1H-pyrazol-4-yl)-5H-thieno[3,2-c]pyridin-4-one
CID 172557620
5-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 128991701
[4-(4-fluorophenoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 70766484
N-[(5S)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 99826963
N-[(5R)-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 99826964

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide (CID 164641368) is N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is COc1ccccc1[C@H](CNC(=O)c1cn[nH]c1-c1ccsc1)OC(C)C.
What is the InChIKey of N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is SOWUEPVAKNUASV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13(2)26-18(15-6-4-5-7-17(15)25-3)11-21-20(24)16-10-22-23-19(16)14-8-9-27-12-14/h4-10,12-13,18H,11H2,1-3H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide?
N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 164641368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).