N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide

C21H19N3O2 — CID 154576781

IUPACN-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
SMILESCn1cc(-c2ccc(CCNC(=O)c3cc4ccccc4o3)cc2)cn1
InChIInChI=1S/C21H19N3O2/c1-24-14-18(13-23-24)16-8-6-15(7-9-16)10-11-22-21(25)20-12-17-4-2-3-5-19(17)26-20/h2-9,12-14H,10-11H2,1H3,(H,22,25)
InChIKeySHDPFQKLNOJHAP-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.81
Rot. Bonds5

About N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide

N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 154576781) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
PubChem CID154576781
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
SMILESCn1cc(-c2ccc(CCNC(=O)c3cc4ccccc4o3)cc2)cn1
InChIInChI=1S/C21H19N3O2/c1-24-14-18(13-23-24)16-8-6-15(7-9-16)10-11-22-21(25)20-12-17-4-2-3-5-19(17)26-20/h2-9,12-14H,10-11H2,1H3,(H,22,25)
InChIKeySHDPFQKLNOJHAP-UHFFFAOYSA-N
XLogP3.81
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide
CID 154576814
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 122275231
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-benzofuran-2-carboxamide
CID 2603932
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 154576769
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 154576774
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 129006244
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide (CID 154576781) is N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide is Cn1cc(-c2ccc(CCNC(=O)c3cc4ccccc4o3)cc2)cn1.
What is the InChIKey of N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is SHDPFQKLNOJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-24-14-18(13-23-24)16-8-6-15(7-9-16)10-11-22-21(25)20-12-17-4-2-3-5-19(17)26-20/h2-9,12-14H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide?
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 154576781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).