N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C20H18N6O2 — CID 46964069

IUPACN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3cc(-c4ccccn4)n[nH]3)n2C)cc1
InChIInChI=1S/C20H18N6O2/c1-26-18(13-6-8-14(28-2)9-7-13)12-22-20(26)23-19(27)17-11-16(24-25-17)15-5-3-4-10-21-15/h3-12H,1-2H3,(H,24,25)(H,22,23,27)
InChIKeyDSHWTDZKLKYDTB-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.13
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 46964069) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID46964069
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3cc(-c4ccccn4)n[nH]3)n2C)cc1
InChIInChI=1S/C20H18N6O2/c1-26-18(13-6-8-14(28-2)9-7-13)12-22-20(26)23-19(27)17-11-16(24-25-17)15-5-3-4-10-21-15/h3-12H,1-2H3,(H,24,25)(H,22,23,27)
InChIKeyDSHWTDZKLKYDTB-UHFFFAOYSA-N
XLogP3.13
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 46964069) is N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is COc1ccc(-c2cnc(NC(=O)c3cc(-c4ccccn4)n[nH]3)n2C)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DSHWTDZKLKYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-26-18(13-6-8-14(28-2)9-7-13)12-22-20(26)23-19(27)17-11-16(24-25-17)15-5-3-4-10-21-15/h3-12H,1-2H3,(H,24,25)(H,22,23,27).
What are the key properties of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46964069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).