N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide

C20H23N3O2 — CID 34078119

IUPACN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14-17(10-12-25-14)19(24)22-18-9-11-21-23(18)13-15-5-7-16(8-6-15)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,24)
InChIKeyCBFWOGCCAGXEKY-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.38
Rot. Bonds4

About N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide

N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 34078119) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
PubChem CID34078119
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14-17(10-12-25-14)19(24)22-18-9-11-21-23(18)13-15-5-7-16(8-6-15)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,24)
InChIKeyCBFWOGCCAGXEKY-UHFFFAOYSA-N
XLogP4.38
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide (CID 34078119) is N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is CBFWOGCCAGXEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-17(10-12-25-14)19(24)22-18-9-11-21-23(18)13-15-5-7-16(8-6-15)20(2,3)4/h5-12H,13H2,1-4H3,(H,22,24).
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide?
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 34078119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).