1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide

C16H21N3O3 — CID 75371639

IUPAC1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)COc2ccccc2OC)cn1
InChIInChI=1S/C16H21N3O3/c1-4-19-10-13(9-17-19)16(20)18-12(2)11-22-15-8-6-5-7-14(15)21-3/h5-10,12H,4,11H2,1-3H3,(H,18,20)
InChIKeyGTMCYUIWJXOUCP-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.11
Rot. Bonds7

About 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide

1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 75371639) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
PubChem CID75371639
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)COc2ccccc2OC)cn1
InChIInChI=1S/C16H21N3O3/c1-4-19-10-13(9-17-19)16(20)18-12(2)11-22-15-8-6-5-7-14(15)21-3/h5-10,12H,4,11H2,1-3H3,(H,18,20)
InChIKeyGTMCYUIWJXOUCP-UHFFFAOYSA-N
XLogP2.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 77081119
3-cyclopentyl-N-[1-(2-methoxyphenoxy)propan-2-yl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504062
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
1-ethyl-N-(4-methoxy-2-pyridinyl)pyrazole-4-carboxamide
CID 75392803
methyl (2S)-2-[[1-[(3,4-dimethoxyphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
CID 126811745
4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 133160972
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]cyclopentanecarboxamide
CID 95706429
(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 114964370

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide (CID 75371639) is 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC(C)COc2ccccc2OC)cn1.
What is the InChIKey of 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is GTMCYUIWJXOUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-19-10-13(9-17-19)16(20)18-12(2)11-22-15-8-6-5-7-14(15)21-3/h5-10,12H,4,11H2,1-3H3,(H,18,20).
What are the key properties of 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide?
1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 75371639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).