N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide

C20H23N5O — CID 25380281

IUPACN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)cn1
InChIInChI=1S/C20H23N5O/c1-3-25-15-18(13-23-25)20(26)22-12-17-10-7-11-21-19(17)24(2)14-16-8-5-4-6-9-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,26)
InChIKeyQYCCCRCUJSOQOL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.86
Rot. Bonds7

About N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide

N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 25380281) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide
PubChem CID25380281
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)cn1
InChIInChI=1S/C20H23N5O/c1-3-25-15-18(13-23-25)20(26)22-12-17-10-7-11-21-19(17)24(2)14-16-8-5-4-6-9-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,26)
InChIKeyQYCCCRCUJSOQOL-UHFFFAOYSA-N
XLogP2.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide (CID 25380281) is N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NCc2cccnc2N(C)Cc2ccccc2)cn1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is QYCCCRCUJSOQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-25-15-18(13-23-25)20(26)22-12-17-10-7-11-21-19(17)24(2)14-16-8-5-4-6-9-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide?
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 25380281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).