N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide

C19H21N3O2 — CID 2742261

IUPACN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C19H21N3O2/c1-12-14(10-16(24-12)19(2,3)4)15-11-17(22-21-15)20-18(23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,20,21,22,23)
InChIKeyRPEWYPOGZDRQLY-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.53
Rot. Bonds3

About N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide

N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide (PubChem CID 2742261) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide
PubChem CID2742261
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide
SMILESCc1oc(C(C)(C)C)cc1-c1cc(NC(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C19H21N3O2/c1-12-14(10-16(24-12)19(2,3)4)15-11-17(22-21-15)20-18(23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,20,21,22,23)
InChIKeyRPEWYPOGZDRQLY-UHFFFAOYSA-N
XLogP4.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methoxybenzamide
CID 5330980
N-[6-(furan-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539609
N-{3-[5-(tert-butyl)-2-methyl-3-furyl]-1H-pyrazol-5-yl}-4-nitrobenzamide
CID 3311423
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
N-(5-methyl-1H-pyrazol-3-yl)-3-phenoxybenzamide
CID 2360970
3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
CID 44526652
N-{3-[5-(tert-butyl)-2-methyl-3-furyl]-1-methyl-1H-pyrazol-5-yl}-2-methylbenzamide
CID 2742277
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742777
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-(oxolan-2-yl)propanamide
CID 51099252
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-amine
CID 2742754
N-[3-(2-furyl)-1H-pyrazol-5-yl]-N-(4-methoxybenzyl)amine
CID 57411902
4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 155525381

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide (CID 2742261) is N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide is Cc1oc(C(C)(C)C)cc1-c1cc(NC(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is RPEWYPOGZDRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-14(10-16(24-12)19(2,3)4)15-11-17(22-21-15)20-18(23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,20,21,22,23).
What are the key properties of N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide?
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 2742261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).