6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine

C20H23N5 — CID 99801713

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC[C@H]3CCCc4ccccc43)n2)n1
InChIInChI=1S/C20H23N5/c1-14-10-15(2)25(24-14)20-13-21-12-19(23-20)22-11-17-8-5-7-16-6-3-4-9-18(16)17/h3-4,6,9-10,12-13,17H,5,7-8,11H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyQBKDXIVWZUBWRF-QGZVFWFLSA-N
MW333.44 g/mol
LogP3.81
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine (PubChem CID 99801713) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine
PubChem CID99801713
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC[C@H]3CCCc4ccccc43)n2)n1
InChIInChI=1S/C20H23N5/c1-14-10-15(2)25(24-14)20-13-21-12-19(23-20)22-11-17-8-5-7-16-6-3-4-9-18(16)17/h3-4,6,9-10,12-13,17H,5,7-8,11H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyQBKDXIVWZUBWRF-QGZVFWFLSA-N
XLogP3.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine (CID 99801713) is 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NC[C@H]3CCCc4ccccc43)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine?
The InChIKey is QBKDXIVWZUBWRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5/c1-14-10-15(2)25(24-14)20-13-21-12-19(23-20)22-11-17-8-5-7-16-6-3-4-9-18(16)17/h3-4,6,9-10,12-13,17H,5,7-8,11H2,1-2H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine has a molecular weight of 333.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 99801713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).