5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

C20H19N5O2 — CID 70775870

IUPAC5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3cnn(-c4ccccc4)c3)n[nH]2)o1
InChIInChI=1S/C20H19N5O2/c1-14-7-8-19(27-14)17-11-18(24-23-17)20(26)21-10-9-15-12-22-25(13-15)16-5-3-2-4-6-16/h2-8,11-13H,9-10H2,1H3,(H,21,26)(H,23,24)
InChIKeyUCDXYJUOCJUXEG-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.14
Rot. Bonds6

About 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 70775870) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID70775870
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3cnn(-c4ccccc4)c3)n[nH]2)o1
InChIInChI=1S/C20H19N5O2/c1-14-7-8-19(27-14)17-11-18(24-23-17)20(26)21-10-9-15-12-22-25(13-15)16-5-3-2-4-6-16/h2-8,11-13H,9-10H2,1H3,(H,21,26)(H,23,24)
InChIKeyUCDXYJUOCJUXEG-UHFFFAOYSA-N
XLogP3.14
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55608506
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131935956
5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70715052
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880476
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 146145690
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 162646082
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-(2-propylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 70788324

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 70775870) is 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCc3cnn(-c4ccccc4)c3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UCDXYJUOCJUXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14-7-8-19(27-14)17-11-18(24-23-17)20(26)21-10-9-15-12-22-25(13-15)16-5-3-2-4-6-16/h2-8,11-13H,9-10H2,1H3,(H,21,26)(H,23,24).
What are the key properties of 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70775870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).