5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C16H21N3O3 — CID 19465995

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC3CCCO3)o2)n1
InChIInChI=1S/C16H21N3O3/c1-11-8-12(2)19(18-11)10-14-5-6-15(22-14)16(20)17-9-13-4-3-7-21-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,20)
InChIKeyWULCLMBEZSYIEK-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.05
Rot. Bonds5

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 19465995) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID19465995
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC3CCCO3)o2)n1
InChIInChI=1S/C16H21N3O3/c1-11-8-12(2)19(18-11)10-14-5-6-15(22-14)16(20)17-9-13-4-3-7-21-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,20)
InChIKeyWULCLMBEZSYIEK-UHFFFAOYSA-N
XLogP2.05
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19468194
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 35333649
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 97256536
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
5-(1-chloroethyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 82109059
(2R)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 129446607

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 19465995) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)NCC3CCCO3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is WULCLMBEZSYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-8-12(2)19(18-11)10-14-5-6-15(22-14)16(20)17-9-13-4-3-7-21-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,17,20).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19465995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).