3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide

C25H24N4O2 — CID 55858680

IUPAC3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C25H24N4O2/c1-18-24(19(2)29(28-18)22-11-7-4-8-12-22)25(30)27-16-21-13-14-26-23(15-21)31-17-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyOYZLKQGZTCIWGG-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.39
Rot. Bonds7

About 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide

3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 55858680) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID55858680
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C25H24N4O2/c1-18-24(19(2)29(28-18)22-11-7-4-8-12-22)25(30)27-16-21-13-14-26-23(15-21)31-17-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyOYZLKQGZTCIWGG-UHFFFAOYSA-N
XLogP4.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477619
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 33125978
1-(4-fluorophenyl)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55619852
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 46476097
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide (CID 55858680) is 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is OYZLKQGZTCIWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-24(19(2)29(28-18)22-11-7-4-8-12-22)25(30)27-16-21-13-14-26-23(15-21)31-17-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,27,30).
What are the key properties of 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide?
3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55858680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).