N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

C20H25N3O2 — CID 37364660

IUPACN-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H25N3O2/c1-23(12-20-9-13-5-14(10-20)7-15(6-13)11-20)19(24)17-8-16(21-22-17)18-3-2-4-25-18/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,21,22)
InChIKeyYIAULAXQFSVCAO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.96
Rot. Bonds4

About N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 37364660) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID37364660
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H25N3O2/c1-23(12-20-9-13-5-14(10-20)7-15(6-13)11-20)19(24)17-8-16(21-22-17)18-3-2-4-25-18/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,21,22)
InChIKeyYIAULAXQFSVCAO-UHFFFAOYSA-N
XLogP3.96
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 111596083
N-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
CID 25342203
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112800397
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 71785859
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
N-(1-adamantylmethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 37366114
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 37427411

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (CID 37364660) is N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is YIAULAXQFSVCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23(12-20-9-13-5-14(10-20)7-15(6-13)11-20)19(24)17-8-16(21-22-17)18-3-2-4-25-18/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,21,22).
What are the key properties of N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 37364660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).