N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide

C16H22N4O — CID 66128449

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C16H22N4O/c1-4-20-15(8-12(2)18-20)16(21)19(3)11-14-7-5-6-13(9-14)10-17/h5-9H,4,10-11,17H2,1-3H3
InChIKeyFSNIDPWVNNPWOU-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.94
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide

N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 66128449) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
PubChem CID66128449
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C16H22N4O/c1-4-20-15(8-12(2)18-20)16(21)19(3)11-14-7-5-6-13(9-14)10-17/h5-9H,4,10-11,17H2,1-3H3
InChIKeyFSNIDPWVNNPWOU-UHFFFAOYSA-N
XLogP1.94
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 107206783
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
CID 66125622
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
1,3-diethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-5-carboxamide
CID 66122171
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate
CID 62733450
N-[(4-bromophenyl)methyl]-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 66120211
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 79668480
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide (CID 66128449) is N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(C)Cc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is FSNIDPWVNNPWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-20-15(8-12(2)18-20)16(21)19(3)11-14-7-5-6-13(9-14)10-17/h5-9H,4,10-11,17H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide?
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 66128449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).