N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide

C18H21N5O — CID 19449951

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
SMILESCCn1ccc(CN(C)C(=O)c2cccc(Cn3cccn3)c2)n1
InChIInChI=1S/C18H21N5O/c1-3-22-11-8-17(20-22)14-21(2)18(24)16-7-4-6-15(12-16)13-23-10-5-9-19-23/h4-12H,3,13-14H2,1-2H3
InChIKeyMBRWCQNDFPHBLF-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds6

About N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide

N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 19449951) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID19449951
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
SMILESCCn1ccc(CN(C)C(=O)c2cccc(Cn3cccn3)c2)n1
InChIInChI=1S/C18H21N5O/c1-3-22-11-8-17(20-22)14-21(2)18(24)16-7-4-6-15(12-16)13-23-10-5-9-19-23/h4-12H,3,13-14H2,1-2H3
InChIKeyMBRWCQNDFPHBLF-UHFFFAOYSA-N
XLogP2.42
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449856
3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449946
N-methyl-3-(pyrazol-1-ylmethyl)-N-(quinolin-4-ylmethyl)benzamide
CID 50982439
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970
N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 70720863
N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 19449830
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449817
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
2-[methyl-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]amino]acetic acid
CID 91792545
4,5-dibromo-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19449890

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide (CID 19449951) is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide is CCn1ccc(CN(C)C(=O)c2cccc(Cn3cccn3)c2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is MBRWCQNDFPHBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-22-11-8-17(20-22)14-21(2)18(24)16-7-4-6-15(12-16)13-23-10-5-9-19-23/h4-12H,3,13-14H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide?
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 19449951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).