6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine

C19H21N5S — CID 133296904

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCC3(Sc4ccccc4)CC3)n2)n1
InChIInChI=1S/C19H21N5S/c1-14-10-15(2)24(23-14)18-12-20-11-17(22-18)21-13-19(8-9-19)25-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,22)
InChIKeyOKUBBBCHSKVPFW-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.02
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine (PubChem CID 133296904) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine
PubChem CID133296904
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCC3(Sc4ccccc4)CC3)n2)n1
InChIInChI=1S/C19H21N5S/c1-14-10-15(2)24(23-14)18-12-20-11-17(22-18)21-13-19(8-9-19)25-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,22)
InChIKeyOKUBBBCHSKVPFW-UHFFFAOYSA-N
XLogP4.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 133283125
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine
CID 99801713
N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133283965
2-(2-chlorophenyl)-1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-2-ol
CID 133472206
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284460
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133426347

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine (CID 133296904) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCC3(Sc4ccccc4)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine?
The InChIKey is OKUBBBCHSKVPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-14-10-15(2)24(23-14)18-12-20-11-17(22-18)21-13-19(8-9-19)25-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,22).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine has a molecular weight of 351.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133296904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).