N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine

C18H21N5S — CID 77094848

IUPACN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
SMILESCCSc1ncc(CN(C)Cc2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C18H21N5S/c1-3-24-18-19-11-16(12-20-18)14-22(2)13-15-6-4-7-17(10-15)23-9-5-8-21-23/h4-12H,3,13-14H2,1-2H3
InChIKeyJQGBHSYFCWSRPV-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.41
Rot. Bonds7

About N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine (PubChem CID 77094848) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
PubChem CID77094848
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
SMILESCCSc1ncc(CN(C)Cc2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C18H21N5S/c1-3-24-18-19-11-16(12-20-18)14-22(2)13-15-6-4-7-17(10-15)23-9-5-8-21-23/h4-12H,3,13-14H2,1-2H3
InChIKeyJQGBHSYFCWSRPV-UHFFFAOYSA-N
XLogP3.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
N-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
CID 42189865
6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 56712468
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 70750518
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
CID 46995980
3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 70711091
4-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 155913971
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]formamide
CID 146146108

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine (CID 77094848) is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine is CCSc1ncc(CN(C)Cc2cccc(-n3cccn3)c2)cn1.
What is the InChIKey of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine?
The InChIKey is JQGBHSYFCWSRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-3-24-18-19-11-16(12-20-18)14-22(2)13-15-6-4-7-17(10-15)23-9-5-8-21-23/h4-12H,3,13-14H2,1-2H3.
What are the key properties of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine?
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine has a molecular weight of 339.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 77094848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).