N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C21H18N4O2S — CID 55957132

IUPACN-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C21H18N4O2S/c26-21(19-12-18(24-25-19)20-5-3-11-28-20)23-13-15-6-8-17(9-7-15)27-14-16-4-1-2-10-22-16/h1-12H,13-14H2,(H,23,26)(H,24,25)
InChIKeyMJZPURJUFPERAY-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.04
Rot. Bonds7

About N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55957132) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55957132
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C21H18N4O2S/c26-21(19-12-18(24-25-19)20-5-3-11-28-20)23-13-15-6-8-17(9-7-15)27-14-16-4-1-2-10-22-16/h1-12H,13-14H2,(H,23,26)(H,24,25)
InChIKeyMJZPURJUFPERAY-UHFFFAOYSA-N
XLogP4.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
N-[2-chloro-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55957894
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 6900035
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
N-[(Z)-pyridin-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5402476
N-[(E)-pyridin-2-ylmethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 6888654
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122262928

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55957132) is N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCc1ccc(OCc2ccccn2)cc1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MJZPURJUFPERAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-21(19-12-18(24-25-19)20-5-3-11-28-20)23-13-15-6-8-17(9-7-15)27-14-16-4-1-2-10-22-16/h1-12H,13-14H2,(H,23,26)(H,24,25).
What are the key properties of N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55957132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).