3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide

C21H25N5O3 — CID 129355197

IUPAC3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cnn(C[C@H]4CCCCO4)c3)n(C)n2)c1
InChIInChI=1S/C21H25N5O3/c1-25-20(11-19(24-25)15-6-5-8-17(10-15)28-2)21(27)23-16-12-22-26(13-16)14-18-7-3-4-9-29-18/h5-6,8,10-13,18H,3-4,7,9,14H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyFQTUPFVNJJTRJI-GOSISDBHSA-N
MW395.46 g/mol
LogP3.11
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide (PubChem CID 129355197) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
PubChem CID129355197
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cnn(C[C@H]4CCCCO4)c3)n(C)n2)c1
InChIInChI=1S/C21H25N5O3/c1-25-20(11-19(24-25)15-6-5-8-17(10-15)28-2)21(27)23-16-12-22-26(13-16)14-18-7-3-4-9-29-18/h5-6,8,10-13,18H,3-4,7,9,14H2,1-2H3,(H,23,27)/t18-/m1/s1
InChIKeyFQTUPFVNJJTRJI-GOSISDBHSA-N
XLogP3.11
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355863
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 121145243
3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145386
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 121016949
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide (CID 129355197) is 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cnn(C[C@H]4CCCCO4)c3)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is FQTUPFVNJJTRJI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-25-20(11-19(24-25)15-6-5-8-17(10-15)28-2)21(27)23-16-12-22-26(13-16)14-18-7-3-4-9-29-18/h5-6,8,10-13,18H,3-4,7,9,14H2,1-2H3,(H,23,27)/t18-/m1/s1.
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 129355197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).