2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide

C16H21N3O3 — CID 119099745

IUPAC2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC3CCCCO3)c2)c(C)o1
InChIInChI=1S/C16H21N3O3/c1-11-7-15(12(2)22-11)16(20)18-13-8-17-19(9-13)10-14-5-3-4-6-21-14/h7-9,14H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyUEBLDSATMDZPKM-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.91
Rot. Bonds4

About 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide

2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide (PubChem CID 119099745) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
PubChem CID119099745
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CC3CCCCO3)c2)c(C)o1
InChIInChI=1S/C16H21N3O3/c1-11-7-15(12(2)22-11)16(20)18-13-8-17-19(9-13)10-14-5-3-4-6-21-14/h7-9,14H,3-6,10H2,1-2H3,(H,18,20)
InChIKeyUEBLDSATMDZPKM-UHFFFAOYSA-N
XLogP2.91
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723
2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 121145254
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide (CID 119099745) is 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide is Cc1cc(C(=O)Nc2cnn(CC3CCCCO3)c2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide?
The InChIKey is UEBLDSATMDZPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-7-15(12(2)22-11)16(20)18-13-8-17-19(9-13)10-14-5-3-4-6-21-14/h7-9,14H,3-6,10H2,1-2H3,(H,18,20).
What are the key properties of 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide?
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide is sourced from PubChem (CID 119099745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).