1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide

C21H24N4O2 — CID 97144985

IUPAC1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N(C)[C@H](C)Cc2cc(C)ccn2)cn1
InChIInChI=1S/C21H24N4O2/c1-15-9-10-22-18(11-15)12-16(2)24(3)21(26)17-13-23-25(14-17)19-7-5-6-8-20(19)27-4/h5-11,13-14,16H,12H2,1-4H3/t16-/m1/s1
InChIKeyILDGEBFRKLKNGG-MRXNPFEDSA-N
MW364.45 g/mol
LogP3.29
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide

1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 97144985) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide
PubChem CID97144985
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N(C)[C@H](C)Cc2cc(C)ccn2)cn1
InChIInChI=1S/C21H24N4O2/c1-15-9-10-22-18(11-15)12-16(2)24(3)21(26)17-13-23-25(14-17)19-7-5-6-8-20(19)27-4/h5-11,13-14,16H,12H2,1-4H3/t16-/m1/s1
InChIKeyILDGEBFRKLKNGG-MRXNPFEDSA-N
XLogP3.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide (CID 97144985) is 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)N(C)[C@H](C)Cc2cc(C)ccn2)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is ILDGEBFRKLKNGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-9-10-22-18(11-15)12-16(2)24(3)21(26)17-13-23-25(14-17)19-7-5-6-8-20(19)27-4/h5-11,13-14,16H,12H2,1-4H3/t16-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide?
1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 97144985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).