N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide

C17H16N4O2 — CID 77079339

IUPACN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cn[nH]c2)c2ccncc2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-15-4-2-12(3-5-15)16(13-6-8-18-9-7-13)21-17(22)14-10-19-20-11-14/h2-11,16H,1H3,(H,19,20)(H,21,22)
InChIKeyXYCALHOBQQULEP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.33
Rot. Bonds5

About N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide

N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide (PubChem CID 77079339) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
PubChem CID77079339
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cn[nH]c2)c2ccncc2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-15-4-2-12(3-5-15)16(13-6-8-18-9-7-13)21-17(22)14-10-19-20-11-14/h2-11,16H,1H3,(H,19,20)(H,21,22)
InChIKeyXYCALHOBQQULEP-UHFFFAOYSA-N
XLogP2.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 99929721
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96575078
N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 140582861
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 16677379
N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 126429579
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide (CID 77079339) is N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide is COc1ccc(C(NC(=O)c2cn[nH]c2)c2ccncc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XYCALHOBQQULEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-15-4-2-12(3-5-15)16(13-6-8-18-9-7-13)21-17(22)14-10-19-20-11-14/h2-11,16H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide?
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77079339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).