3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide

C24H23N5O3 — CID 121165342

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCc3ccnc(-c4ccncc4)c3)n(C)n2)c1
InChIInChI=1S/C24H23N5O3/c1-29-22(14-21(28-29)19-13-18(31-2)4-5-23(19)32-3)24(30)27-15-16-6-11-26-20(12-16)17-7-9-25-10-8-17/h4-14H,15H2,1-3H3,(H,27,30)
InChIKeyNBYACHJXRICCPV-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.49
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide (PubChem CID 121165342) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
PubChem CID121165342
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCc3ccnc(-c4ccncc4)c3)n(C)n2)c1
InChIInChI=1S/C24H23N5O3/c1-29-22(14-21(28-29)19-13-18(31-2)4-5-23(19)32-3)24(30)27-15-16-6-11-26-20(12-16)17-7-9-25-10-8-17/h4-14H,15H2,1-3H3,(H,27,30)
InChIKeyNBYACHJXRICCPV-UHFFFAOYSA-N
XLogP3.49
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 71796642
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
3-(2,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3333611
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121137872
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
CID 71809940
3-(2,5-dimethoxyphenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 121122834
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083943
3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide
CID 122288870

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide (CID 121165342) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCc3ccnc(-c4ccncc4)c3)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide?
The InChIKey is NBYACHJXRICCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-29-22(14-21(28-29)19-13-18(31-2)4-5-23(19)32-3)24(30)27-15-16-6-11-26-20(12-16)17-7-9-25-10-8-17/h4-14H,15H2,1-3H3,(H,27,30).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 121165342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).