3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide

C20H19N7O3 — CID 136636678

IUPAC3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cc(-c2ccccc2)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C20H19N7O3/c1-12-9-17(28)23-20(21-12)27-16(10-15(24-27)13-7-5-4-6-8-13)22-18(29)14-11-26(2)25-19(14)30-3/h4-11H,1-3H3,(H,22,29)(H,21,23,28)
InChIKeyXDSLQYAYHJZYHW-UHFFFAOYSA-N
MW405.42 g/mol
LogP1.93
Rot. Bonds5

About 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide (PubChem CID 136636678) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide
PubChem CID136636678
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cc(-c2ccccc2)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C20H19N7O3/c1-12-9-17(28)23-20(21-12)27-16(10-15(24-27)13-7-5-4-6-8-13)22-18(29)14-11-26(2)25-19(14)30-3/h4-11H,1-3H3,(H,22,29)(H,21,23,28)
InChIKeyXDSLQYAYHJZYHW-UHFFFAOYSA-N
XLogP1.93
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-bromo-5-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]benzamide
CID 136636669
1-ethyl-7-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 136636653
2-(2-chlorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
CID 136636673
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 136636820
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
2-(2-chloro-6-fluorophenyl)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]acetamide
CID 136636670
2-bromo-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870137
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4-methoxybenzamide
CID 136606146
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-4,5-dimethoxy-2-nitrobenzamide
CID 136606222
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-dimethoxybenzamide
CID 136606153

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide (CID 136636678) is 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cc(-c2ccccc2)nn1-c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide?
The InChIKey is XDSLQYAYHJZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-12-9-17(28)23-20(21-12)27-16(10-15(24-27)13-7-5-4-6-8-13)22-18(29)14-11-26(2)25-19(14)30-3/h4-11H,1-3H3,(H,22,29)(H,21,23,28).
What are the key properties of 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-phenylpyrazol-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 136636678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).