N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine

C21H27N5 — CID 75513137

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(C)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)n1
InChIInChI=1S/C21H27N5/c1-14(20-11-23-18(5)24-15(20)2)22-12-21-16(3)25-26(17(21)4)13-19-9-7-6-8-10-19/h6-11,14,22H,12-13H2,1-5H3
InChIKeyNWHJVWUHRXUOCN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.81
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine (PubChem CID 75513137) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine
PubChem CID75513137
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine
SMILESCc1ncc(C(C)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)n1
InChIInChI=1S/C21H27N5/c1-14(20-11-23-18(5)24-15(20)2)22-12-21-16(3)25-26(17(21)4)13-19-9-7-6-8-10-19/h6-11,14,22H,12-13H2,1-5H3
InChIKeyNWHJVWUHRXUOCN-UHFFFAOYSA-N
XLogP3.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 27655015
(1R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 27655607
(1R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 27655528
3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469187
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[[3,5-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 102877955
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467618
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[1-(4-ethylphenyl)ethylamino]acetamide
CID 112805090
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417774

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine (CID 75513137) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine is Cc1ncc(C(C)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)n1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine?
The InChIKey is NWHJVWUHRXUOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-14(20-11-23-18(5)24-15(20)2)22-12-21-16(3)25-26(17(21)4)13-19-9-7-6-8-10-19/h6-11,14,22H,12-13H2,1-5H3.
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine has a molecular weight of 349.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2,4-dimethylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 75513137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).