5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide

C21H18N4O2 — CID 112834343

IUPAC5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)n[nH]2)o1
InChIInChI=1S/C21H18N4O2/c1-14-2-7-20(27-14)18-13-19(25-24-18)21(26)23-17-5-3-15(4-6-17)12-16-8-10-22-11-9-16/h2-11,13H,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyXTYBYJPMZNHAPE-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.22
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 112834343) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID112834343
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)n[nH]2)o1
InChIInChI=1S/C21H18N4O2/c1-14-2-7-20(27-14)18-13-19(25-24-18)21(26)23-17-5-3-15(4-6-17)12-16-8-10-22-11-9-16/h2-11,13H,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyXTYBYJPMZNHAPE-UHFFFAOYSA-N
XLogP4.22
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 146123246
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
N-[3-(aminomethyl)pentan-3-yl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 119572000
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828951
5-(5-methylfuran-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 5402591
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
5-cyclopropyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 122151190

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide (CID 112834343) is 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is XTYBYJPMZNHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-2-7-20(27-14)18-13-19(25-24-18)21(26)23-17-5-3-15(4-6-17)12-16-8-10-22-11-9-16/h2-11,13H,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112834343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).