N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

C21H25N5O — CID 39043684

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccccc2CN(C)C)cnn1-c1ccccn1
InChIInChI=1S/C21H25N5O/c1-4-19-18(14-24-26(19)20-11-7-8-12-22-20)21(27)23-13-16-9-5-6-10-17(16)15-25(2)3/h5-12,14H,4,13,15H2,1-3H3,(H,23,27)
InChIKeyNWYHLQZGSVDGOR-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.82
Rot. Bonds7

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 39043684) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID39043684
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2ccccc2CN(C)C)cnn1-c1ccccn1
InChIInChI=1S/C21H25N5O/c1-4-19-18(14-24-26(19)20-11-7-8-12-22-20)21(27)23-13-16-9-5-6-10-17(16)15-25(2)3/h5-12,14H,4,13,15H2,1-3H3,(H,23,27)
InChIKeyNWYHLQZGSVDGOR-UHFFFAOYSA-N
XLogP2.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352538
5-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55660071
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55831374
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55945165
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
N-[[(2S)-1-cyclopropylpiperidin-2-yl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100655227
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31908758
N-[(2-ethoxy-3-pyridinyl)methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426796

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 39043684) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NCc2ccccc2CN(C)C)cnn1-c1ccccn1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is NWYHLQZGSVDGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-19-18(14-24-26(19)20-11-7-8-12-22-20)21(27)23-13-16-9-5-6-10-17(16)15-25(2)3/h5-12,14H,4,13,15H2,1-3H3,(H,23,27).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39043684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).