3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide

C23H23N5O2 — CID 70770928

IUPAC3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)C(C)c3cc(-c4ccccc4)n[nH]3)[nH]n2)cc1
InChIInChI=1S/C23H23N5O2/c1-15(19-13-20(25-24-19)16-7-5-4-6-8-16)28(2)23(29)22-14-21(26-27-22)17-9-11-18(30-3)12-10-17/h4-15H,1-3H3,(H,24,25)(H,26,27)
InChIKeyYNIHODFXYULJNQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.31
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 70770928) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID70770928
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)C(C)c3cc(-c4ccccc4)n[nH]3)[nH]n2)cc1
InChIInChI=1S/C23H23N5O2/c1-15(19-13-20(25-24-19)16-7-5-4-6-8-16)28(2)23(29)22-14-21(26-27-22)17-9-11-18(30-3)12-10-17/h4-15H,1-3H3,(H,24,25)(H,26,27)
InChIKeyYNIHODFXYULJNQ-UHFFFAOYSA-N
XLogP4.31
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 70770928) is 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)N(C)C(C)c3cc(-c4ccccc4)n[nH]3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YNIHODFXYULJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15(19-13-20(25-24-19)16-7-5-4-6-8-16)28(2)23(29)22-14-21(26-27-22)17-9-11-18(30-3)12-10-17/h4-15H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70770928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).