N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide

C20H17N3O3 — CID 37427411

IUPACN-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C20H17N3O3/c24-20(18-12-17(21-22-18)19-9-5-11-26-19)23(14-16-8-4-10-25-16)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,21,22)
InChIKeyAPHCMXYKRJPCFM-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.11
Rot. Bonds6

About N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide

N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 37427411) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID37427411
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C20H17N3O3/c24-20(18-12-17(21-22-18)19-9-5-11-26-19)23(14-16-8-4-10-25-16)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,21,22)
InChIKeyAPHCMXYKRJPCFM-UHFFFAOYSA-N
XLogP4.11
TPSA75.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 111596083
N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 34907261
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
CID 86869419
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 18830831
5-(furan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 39854407
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 37427411) is N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(-c2ccco2)[nH]n1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is APHCMXYKRJPCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-20(18-12-17(21-22-18)19-9-5-11-26-19)23(14-16-8-4-10-25-16)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,21,22).
What are the key properties of N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 37427411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).