N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C18H23N3O2S — CID 97428116

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)Nc2cnn([C@H]3CCOC3)c2)cc1
InChIInChI=1S/C18H23N3O2S/c1-13(2)24-17-5-3-14(4-6-17)9-18(22)20-15-10-19-21(11-15)16-7-8-23-12-16/h3-6,10-11,13,16H,7-9,12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyKTHORZGUZCVYHM-INIZCTEOSA-N
MW345.47 g/mol
LogP3.53
Rot. Bonds6

About N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 97428116) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID97428116
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)Nc2cnn([C@H]3CCOC3)c2)cc1
InChIInChI=1S/C18H23N3O2S/c1-13(2)24-17-5-3-14(4-6-17)9-18(22)20-15-10-19-21(11-15)16-7-8-23-12-16/h3-6,10-11,13,16H,7-9,12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyKTHORZGUZCVYHM-INIZCTEOSA-N
XLogP3.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(m-tolyl)acetamide
CID 71810098
N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810100
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810199
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(p-fluorophenylthio)acetamide
CID 97428102
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(o-fluorophenyl)acetamide
CID 97428150
4-(pyrrolidin-1-ylsulfonyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)benzamide
CID 71810103
2-(ethylsulfanyl)-N-[1-(oxolan-3-yl)-1H-pyrazol-4-yl]benzamide
CID 71810108
N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)benzo[b]thiophene-2-carboxamide
CID 71810136
2-(benzylthio)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810195
2-(4-(isopropylsulfonyl)phenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810230
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71810233
N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 76149519

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 97428116) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)Nc2cnn([C@H]3CCOC3)c2)cc1.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is KTHORZGUZCVYHM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(2)24-17-5-3-14(4-6-17)9-18(22)20-15-10-19-21(11-15)16-7-8-23-12-16/h3-6,10-11,13,16H,7-9,12H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 97428116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).