1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide

C18H23N3O3 — CID 94817888

IUPAC1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(OC[C@@H]3CCCO3)c2)cnn1C
InChIInChI=1S/C18H23N3O3/c1-13-17(11-20-21(13)2)18(22)19-10-14-5-3-6-15(9-14)24-12-16-7-4-8-23-16/h3,5-6,9,11,16H,4,7-8,10,12H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyKRDUTGDIEXNHBR-INIZCTEOSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds6

About 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 94817888) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID94817888
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2cccc(OC[C@@H]3CCCO3)c2)cnn1C
InChIInChI=1S/C18H23N3O3/c1-13-17(11-20-21(13)2)18(22)19-10-14-5-3-6-15(9-14)24-12-16-7-4-8-23-16/h3,5-6,9,11,16H,4,7-8,10,12H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyKRDUTGDIEXNHBR-INIZCTEOSA-N
XLogP2.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 51122526
3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 94615559
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
7-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92562598
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55707119
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide (CID 94817888) is 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2cccc(OC[C@@H]3CCCO3)c2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is KRDUTGDIEXNHBR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-17(11-20-21(13)2)18(22)19-10-14-5-3-6-15(9-14)24-12-16-7-4-8-23-16/h3,5-6,9,11,16H,4,7-8,10,12H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 94817888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).