N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide

C18H25N3O3S — CID 91822959

IUPACN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCSCCC(CO)NC(=O)c1cc(-c2ccc(OC(C)C)cc2)n[nH]1
InChIInChI=1S/C18H25N3O3S/c1-12(2)24-15-6-4-13(5-7-15)16-10-17(21-20-16)18(23)19-14(11-22)8-9-25-3/h4-7,10,12,14,22H,8-9,11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyBVHHONFLIHNMDX-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.71
Rot. Bonds9

About N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 91822959) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID91822959
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCSCCC(CO)NC(=O)c1cc(-c2ccc(OC(C)C)cc2)n[nH]1
InChIInChI=1S/C18H25N3O3S/c1-12(2)24-15-6-4-13(5-7-15)16-10-17(21-20-16)18(23)19-14(11-22)8-9-25-3/h4-7,10,12,14,22H,8-9,11H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyBVHHONFLIHNMDX-UHFFFAOYSA-N
XLogP2.71
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205470
3-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-1H-pyrazole-5-carboxamide
CID 124843377
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 110204827
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4,7-dimethoxy-1H-indole-2-carboxamide
CID 91637802
3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 20918247
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349
3-[4-(difluoromethoxy)phenyl]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
CID 19514379

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide (CID 91822959) is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide is CSCCC(CO)NC(=O)c1cc(-c2ccc(OC(C)C)cc2)n[nH]1.
What is the InChIKey of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BVHHONFLIHNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12(2)24-15-6-4-13(5-7-15)16-10-17(21-20-16)18(23)19-14(11-22)8-9-25-3/h4-7,10,12,14,22H,8-9,11H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide?
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91822959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).