N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

C17H16N4O2 — CID 47057026

IUPACN-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccn[nH]1
InChIInChI=1S/C17H16N4O2/c22-17(15-7-9-20-21-15)19-11-14-6-8-18-16(10-14)23-12-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,22)(H,20,21)
InChIKeyMNXLLJFMPGZDSN-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.31
Rot. Bonds6

About N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 47057026) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID47057026
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccn[nH]1
InChIInChI=1S/C17H16N4O2/c22-17(15-7-9-20-21-15)19-11-14-6-8-18-16(10-14)23-12-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,22)(H,20,21)
InChIKeyMNXLLJFMPGZDSN-UHFFFAOYSA-N
XLogP2.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzamide
CID 46475730
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55962347
5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 46476097
3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55858680
3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 55707101
N-[1-oxo-3-phenyl-1-[(2-phenylmethoxy-4-pyridinyl)methylamino]propan-2-yl]furan-2-carboxamide
CID 46475647

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (CID 47057026) is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccn[nH]1.
What is the InChIKey of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MNXLLJFMPGZDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(15-7-9-20-21-15)19-11-14-6-8-18-16(10-14)23-12-13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,22)(H,20,21).
What are the key properties of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47057026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).