5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide

C18H23N3O4 — CID 95191517

IUPAC5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)N(C)C[C@H]3CCCO3)n[nH]2)c1
InChIInChI=1S/C18H23N3O4/c1-21(11-16-7-4-8-24-16)18(22)17-9-13(19-20-17)12-25-15-6-3-5-14(10-15)23-2/h3,5-6,9-10,16H,4,7-8,11-12H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyYZTAQSRCSFOUNG-MRXNPFEDSA-N
MW345.40 g/mol
LogP2.25
Rot. Bonds7

About 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide

5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 95191517) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID95191517
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)N(C)C[C@H]3CCCO3)n[nH]2)c1
InChIInChI=1S/C18H23N3O4/c1-21(11-16-7-4-8-24-16)18(22)17-9-13(19-20-17)12-25-15-6-3-5-14(10-15)23-2/h3,5-6,9-10,16H,4,7-8,11-12H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyYZTAQSRCSFOUNG-MRXNPFEDSA-N
XLogP2.25
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95212814
5-[(3-methoxyphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 24791304
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42197287
N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 42519117
[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 45191198
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 26401704
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide
CID 56750390
N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56749227
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
CID 96998228
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide (CID 95191517) is 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide is COc1cccc(OCc2cc(C(=O)N(C)C[C@H]3CCCO3)n[nH]2)c1.
What is the InChIKey of 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YZTAQSRCSFOUNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-21(11-16-7-4-8-24-16)18(22)17-9-13(19-20-17)12-25-15-6-3-5-14(10-15)23-2/h3,5-6,9-10,16H,4,7-8,11-12H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95191517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).