1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide

C19H20N4O2 — CID 87047264

IUPAC1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(OCc3ccccn3)cc2)cnn1C
InChIInChI=1S/C19H20N4O2/c1-14-18(12-22-23(14)2)19(24)21-11-15-6-8-17(9-7-15)25-13-16-5-3-4-10-20-16/h3-10,12H,11,13H2,1-2H3,(H,21,24)
InChIKeyGWWLESDXDVJVKP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.63
Rot. Bonds6

About 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide

1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 87047264) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID87047264
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccc(OCc3ccccn3)cc2)cnn1C
InChIInChI=1S/C19H20N4O2/c1-14-18(12-22-23(14)2)19(24)21-11-15-6-8-17(9-7-15)25-13-16-5-3-4-10-20-16/h3-10,12H,11,13H2,1-2H3,(H,21,24)
InChIKeyGWWLESDXDVJVKP-UHFFFAOYSA-N
XLogP2.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
1-(6-methoxypyridazin-3-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55901508
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
N-[(3,4-dimethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 51305032
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 71996721
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
2-iodo-5-nitro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901382
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
CID 101045266
1,5-dimethyl-N-[(3-propoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51090455

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide (CID 87047264) is 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccc(OCc3ccccn3)cc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is GWWLESDXDVJVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-18(12-22-23(14)2)19(24)21-11-15-6-8-17(9-7-15)25-13-16-5-3-4-10-20-16/h3-10,12H,11,13H2,1-2H3,(H,21,24).
What are the key properties of 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 87047264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).